bluuebunny/crossref_metadata_2025 huggingface dataset:
Crystal structure of the α-modification of caesium gallium(III) monohydrogen triphosphate, α-CsGaHP3O10
Authors: Mi J.-X. , Borrmann H. , Huang Y.-X. , Zhao J.-T. , Kniep R.
Published: September 2014

CsGaHO10P3, monoclinic, C121 (No. 5), a = 9.061(1) Å, b = 8.7105(9) Å, c = 6.2195(8) Å, β = 111.993(6)0, V = 455.2 Å3, Z = 2, Rgt(F) = 0.018, wRref(F2) = 0.046, T = 295 K.
Crystal structure of 2,3,8,9,10,11-hexahydro-7H-dibenzo[de,h]quinolin- 7-one, C16H15NO
Authors: Sobarzo-Sánchez E. , Cassels B. K. , Castedo L. , Valencia-Matarranz L. , Pérez-Lourido P.
Published: September 2014

C16H15NO, monoclinic, P121/a1 (No. 14), a = 7.085(1) Å, b = 18.587(3) Å, c = 9.080(2) Å, β = 95.30(2)0, V = 1190.5 Å3, Z = 4, Rgt(F) = 0.068, wRref(F2) = 0.239, T = 293 K.
Crystal structure of 14 β-hydroxy-3,4-dimethoxy-5β,17-dimethylmorphinan- 6-one, C20H27NO4
Authors: Schütz J. , Schmidhammer H. , Wurst K.
Published: September 2014

C20H27NO4, monoclinic, P1211 (No. 4), a = 12.689(6) Å, b = 7.539(2) Å, c = 19.490(3) Å, β = 105.87(3)0, V = 1793.4 Å3, Z = 4, Rgt(F) = 0.032, wRref(F2) = 0.081, T = 218 K.
Crystal structure of 1,3,3,4,6,6-hexaferrocenyl-hexa-4,5-dien-1-yne, C66H54Fe6
Authors: Kopacka H. , Bildstein B. , Wurst K.
Published: September 2014

C66H54Fe6, monoclinic, P121/c1 (No. 14), a = 12.4201(4) Å, b = 20.0247(6)Å, c = 19.8328(3) Å, β = 93.054(2)0, V = 4925.6 Å3, Z = 4, Rgt(F) = 0.039, wRref(F2) = 0.074, T = 223 K.
Crystal structure of bis(dipentyldithiocarbamato)nickel(II), Ni(C11H22NS2)2
Authors: Kamenfček J. , Pastorek R. , Cvek B. , Taraba J.
Published: September 2014

C22H44N2NiS4, monoclinic, P121/n1 (No. 14), a = 10.402(2) Å, b = 13.261(3) Å, c = 10.701(2) Å, β = 114.79(3)°, V = 1340.1 Å3, Z = 2, Rgt(F) = 0.049, wRref(F2) = 0.118, T = 120 K.
Crystal structure of di(2,2'-bipyridine)di[µ-(2-furancarboxylato-O,O')- µ-(2-furancarboxylato-O,O':O')]di(nitrato)disamarium(III), Sm2(NO3)2(C5H3O3)4(C10H8N2)2
Authors: Li X. , Zou Y.-Q.
Published: September 2014

C20H14N3O9Sm, triclinic, P1 (No. 2), a = 9.981(4) Å, b = 10.266(5) Å, c = 11.082(5) Å, α = 85.556(8)°, β = 75.913(8)°, γ = 70.087(7)°, V = 1035.5 Å3, Z = 2, Rgt(F) = 0.029, wRref(F2) = 0.070, T = 293 K.
Crystal structure of trans,cis-(±)-3′-(4-fluorophenyl)-2-phenylspiro[2H- 1-benzothiopyran-3(4H),2′-oxiran]-4-one 1-oxide, C22H15FO3S
Authors: Kovacs J. , Toth G. , Kleinpeter E. , Schilde U.
Published: September 2014

C22H15FO3S, monoclinic, P121/c1 (No. 14), a = 8.739(1) Å, b = 15.948(3) Å, c = 12.993(1) Å, β = 94.99(1)°, V = 1804.0 Å3, Z = 4, Rgt(F) = 0.045, wRref(F2) = 0.119, T = 298 K.
Crystal structure of diazelaatobis(tetraaquacobalt(II)) tetrahydrate, [Co(H2O)4]2(C9H14O4)2 · 4H2O
Authors: Zheng Y.-Q. , Sun J. , Fang Y.-W.
Published: September 2014

C18H52Co2O20, orthorhombic, Pbam(No. 55), a = 6.573(1) Å, b = 12.533(3) Å, c = 19.934(4) Å, V = 1642.2 Å3, Z = 2, Rgt(F) = 0.037, wRref(F2) = 0.116, T = 293 K.
Crystal structure of tetraaqua(µ-4,4′-bipyridine-N,N′)zinc(II) succinate tetrahydrate, Zn(H2O)4 (C10H8N2)(C4H4O4) · 4H2O
Authors: Zheng Y.-Q. , Lin J.-L. , Jiang J.-Y.
Published: September 2014

C14H28N2O12Zn, triclinic, P1 (No. 1), a = 7.189(1) Å, b = 7.764(2) Å, c = 9.843(2) Å, α = 79.16(3)°, β = 87.80(3)°, γ = 71.29(3)°, V = 510.9 Å3, Z = 1, Rgt(F) = 0.032, wRref(F2) = 0.095, T = 293 K.
Crystal structure of triaquabis(vanillin-O,O)nitritoerbium(III), Er(C8H7O3)2(NO2)(H2O)3
Authors: Feng Y.-L. , Zhao G.-L.
Published: September 2014

C16H20ErNO11, orthorhombic, Pnma (No. 62), a = 7.744(2) Å, b = 21.929(4) Å, c = 11.013(2) Å, V = 1870.2 Å3, Z = 4, Rgt(F) = 0.020, wRref(F2) = 0.083, T = 293 K.
Crystal structure of 4-aminobenzenesulfonosilver(I), C6H6AgNO3S
Authors: Pan Y.-J. , Meng F.-J. , Wang X.-J. , Zhu H.-L. , Wang D.-Q.
Published: September 2014

C6H6AgNO3S, monoclinic, P121/c1 (No. 14), a = 9.109(5) Å, b = 8.910(5) Å, c = 9.546(6) Å, β = 100.076(7)°, V = 762.8 Å3, Z = 4, Rgt(F) = 0.030, wRref(F2) = 0.078, T = 293 K.
Crystal structure of bis(thiocyanato)(γ-C-meso-5,5,7,12,12,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecanecopper(II), C18H36CuN6S2
Authors: Zhu H.-L. , Liu Q.-X. , Liu X.
Published: September 2014

C18H36CuN6S2, monoclinic, P121/c1 (No. 14), a = 7.691(1) Å, b = 9.449(3) Å, c = 16.380(2) Å, β = 101.08(2)°, V = 1168.1 Å3, Z = 2, Rgt(F) = 0.037, wRref(F2) = 0.098, T = 293 K.
Crystal structure of Tutton’s salts, Rb2[MII(H2O)6](SeO4)2, MII = Mg, Co, Mn, Zn
Authors: Euler H. , Barbier B. , Meents A. , Kirfel A.
Published: September 2014

H12MgO14Rb2Se2, monoclinic, P121/a1 (No. 14), a = 9.401(1) Å, b = 12.658(2) Å, c = 6.339(1) Å, β = 105.25(1)°, V = 727.8 Å3, Z = 2, Rgt(F) = 0.020, wRref(F2) = 0.040, T = 293 K.

CoH12O14Rb2Se2, monoclinic, P121/a1 (No. 14), a = 9.363(1) Å, b = 12.618(1) Å, c = 6.3562(7) Å, β = 105.238(9)°, V = 724.5Å3, Z = 2, Rgt(F) = 0.018, wRref(F2) = 0.037, T = 293 K.

H12MnO14Rb2Se2, monoclinic, P121/a1 (No. 14), a = 9.4496(8) Å, b = 12.760(1) Å, c = 6.3794(7) Å, β = 105.189(7)°, V = 742.4Å3, Z = 2, Rgt(F) = 0.025, wRref(F2) = 0.056, T = 293 K.

H12O14Rb2Se2Zn, monoclinic, P121/a1 (No. 14), a = 9.352(1) Å, b = 12.626(2) Å, c = 6.360(1) Å, β = 105.195(8)°, V = 724.7 Å3, Z = 2, Rgt(F) = 0.024, wRref(F2) = 0.048, T = 293 K.
Crystal structure of dicaesium oxopentachloromolybdate(V), Cs2(MoOCl5)
Authors: Mi J.-X. , Feng X.-C. , Mao S.-Y. , Zhao J.-T. , Zhang H.
Published: September 2014

Cl5Cs2MoO, cubic, Fm3̅m (No. 225), a = 10.2276(2) Å, V = 1069.8 Å3, Z=4, Rgt(F) = 0.027, wRref(F2) = 0.058, T = 295K
Crystal structure of trieuropium octacopper tetrastannide, Eu3Cu8Sn4
Authors: Fornasini M. L. , Manfrinetti P. , Mazzone D.
Published: September 2014

Cu8Eu3Sn4, hexagonal, P63mc (No. 186), a = 9.251(2) Å, c = 7.801(1) Å, V = 578.2 Å3, Z = 2, Rgt(F) = 0.026, wRall(F2) = 0.062, T = 293 K.
Crystal structure of 1,2-diaminopropanesilver(I) 3,5-dinitrobenzoate hydrate, Ag(C3H10N2)(C7H3N2O6) · 1.5H2O
Authors: Zhu H.-L. , Wang X.-J. , Pan Y.-J. , Wang D.-Q.
Published: September 2014

C10H16AgN4O7.50, monoclinic, C12/c1 (No. 15), a = 28.123(8) Å, b = 5.241(2) Å, c = 24.723(7) Å, β = 122.958(4)°, V = 3057.9Å3, Z = 8, Rgt(F) = 0.037, wRref(F2) = 0.070, T = 298 K.
Crystal structure of ethylenediaminesilver(I) di(3,5-dinitrobenzoato)- silver(I) dihydrate, Ag2(C2H8N2)(C7H3N2O6)2 · 2H2O
Authors: Zhu H.-L. , Sun X.-J. , Wang X.-J. , Wang D.-Q.
Published: September 2014

C16H18Ag2N6O14, triclinic, P1̅ (No. 2), a = 6.978(2) Å, b = 12.919(5) Å, c = 15.029(5) Å, α = 84.320(6)°, β = 76.81 (5)°, ϒ = 79.612(6)°, V = 1295.1 Å3, Z = 2, Rgt(F) = 0.065, wRref(F2) = 0.091, T = 298 K.
Crystal structure of bis(diaquamanganese(II))hexaacetatomanganese(II) octahydrate, ((H2O)2Mn)2(C2H3O2)6Mn · 8H2O
Authors: Li S.-Y. , Li Y.-H. , Liu H.-L. , Zhu H.-L. , Wang D.-Q.
Published: September 2014

C12H42Mn3O24, monoclinic, P121/c1 (No. 14), a = 10.409(8) Å, b = 17.52(1) Å, c = 9.059(7) Å, β = 110.93(1)°, V = 1543.3 Å3, Z = 2, Rgt(F) = 0.032, wRref(F2) = 0.089, T = 298 K.
Crystal structure of 1,2-bis(salicylideneiminato)propanechromium(III) nitrate, C17H20CrN3O7
Authors: Zhu H.-L. , Liu X. , Zhu X.-L. , Wang D.-Q.
Published: September 2014

C17H20CrN3O7, monoclinic, C12/c1 (No. 15), a = 18.905(7) Å, b = 13.915(5) Å, c = 14.822(6) Å, β = 97.246(7)°, V = 3868.0Å3, Z = 8, Rgt(F) = 0.052, wRref(F2) = 0.125, T = 298 K.
Crystal structure of bis(2-pyrimidylthio)methane, C9H8N4S2
Authors: Liu L.-H. , Fu Y.-S. , Zhang Q.-F.
Published: September 2014

C9H8N4S2, monoclinic, P12/c1 (No. 13), a = 18.757(4) Å,b = 3.9876(8) Å, c = 14.668(3) Å, β = 112.15(3)°, V = 1016.1 Å3, Z = 4, Rgt(F) = 0.030, wRref(F2) = 0.080, T = 100 K.
Crystal structure of N-(2-(aminoethyl)pyridyl)(salicylaldiminato)- copper(II) perchlorate dimer, [Cu(C14H13N2O)]2(ClO4)2
Authors: Burns M. , Moubaraki B. , Tiekink E. R. T.
Published: September 2014

C14H13ClCuN2O5, monoclinic, P121/n1 (No. 14), a = 9.559(2) Å, b = 11.024(2) Å, c = 14.397(4) Å, β = 104.75(2)°, V = 1467.1Å3, Z = 4, Rgt(F) = 0.034, wRref(F2) = 0.089, T = 293 K.
Crystal structure of μ2-oxo-bis-μ2-formato-bis(tris(pyrazolyl)- methane)diiron(III) perchlorate, C22H22Cl2Fe2N12O13
Authors: Moubaraki B. , Murray K. S. , Tiekink E. R. T.
Published: September 2014

C11H11ClFeN6O6.50, orthorhombic, Pnnm (No. 58), a = 12.733(6) Å, b = 15.315(9) Å, c = 16.260(5) Å, V = 3170.8Å3, Z = 8, Rgt(F) = 0.058, wRref(F2) = 0.200, T = 293 K.
Crystal structure of 3-(2,6-dichlorophenyl)-6,7-dihydro-4Hpyrano[ 3,4-d]isoxazol-4-one, C12H7Cl2NO3
Authors: Hughes C. M. M. , Tiekink E. R. T. , Easton C. J.
Published: September 2014

C12H7Cl2NO3, monoclinic, P121/c1 (No. 14), a = 13.518(1) Å, b = 5.987(1) Å, c = 14.3838(8) Å, β = 99.736(5)°, V = 1147.4Å3, Z = 4, Rgt(F) = 0.039, wRref(F2) = 0.110, T = 293 K.
Crystal structure of tricerium dialuminide diiodide, Ce3Al2I2
Authors: Mattausch Hj. , Simon A.
Published: September 2014

Al2Ce3I2, monoclinic, C12/m1 (No. 12), a = 19.542(2) Å, b = 4.272(1) Å, c = 12.198(2) Å, β = 121.35(2)°, V = 869.7 Å3, Z = 4, Rgt(F) = 0.042, wRref(F2) = 0.107, T = 293 K.
Crystal structure of tetrasodium tetraselenidosilicate(IV), Na4SiSe4
Authors: Preishuber-Pflügl H. , Klepp K. O.
Published: September 2014

Na4Se4Si, orthorhombic, Pnma (No. 62), a = 14.182(5) Å, b = 9.208(3) Å, c = 7.122(3) Å, V = 930.0 Å3, Z = 4, Rgt(F) = 0.066, wRref(F) = 0.059, T = 294 K.
Refinement of the crystal structure of dirubidium trithioargentate(I), Rb2Ag4S3
Authors: Klepp K. O. , Sing M.
Published: September 2014

Ag4Rb2S3, monoclinic, C12/m1 (No. 12), a = 17.808(8) Å, b = 4.310(2) Å, c = 11.799(5) Å, β = 108.55(2)°, V = 858.6 Å3, Z = 4, Rgt(F) = 0.038, wRobs(F) = 0.038, T = 294 K.
Crystal structure of iron nickel phosphide, Fe1.7Ni1.3P, a Schreibersite extracted from Canyon Diablo meteorite
Authors: Moretzki O. , Doering Th. , Geist V. , Morgenroth W. , Wendschuh M.
Published: September 2014

Fe1.7Ni1.3P8, tetragonal, I4̅ (No. 82), a = 9.049(1) Å, c = 4.4646(9) Å, V = 365.6 Å3, Z = 8, Rgt(F) = 0.042, wRref(F2) = 0.093, T = 293 K
Crystal structure of 5,11,17,23-tetra-tert-butyl-25,26-bis(diphenylphosphinoylmethoxy)- 27,28-bis(benzoylmethoxy)calix[4]arene— ethyl acetate—hexane (1:1:0.5), C86H90O8P2 · C4H8O2 · 0.5C6H14, a new cavity-shaped ligand with eight oxygen donors
Authors: Steyer S. , Matt D. , Louat A.
Published: September 2014

C93H105O10P2, triclinic, P1̅ (No. 2), a = 10.4556(2) Å, b = 15.1838(2) Å, c = 26.8979(5) Å, α = 103.1431(9)°, β = 91.4030(7)°, γ = 95.4738(7)°, V = 4134.7 Å3, Z = 2, Rgt(F) = 0.111, wRref(F2) = 0.285, T = 173 K.
Crystal structure of N-(4-(3,6-dioxo-4-phenylsulfanylcyclo-1,4-dienylamino))-5-dimethylaminonaphtalene-sulfonamide, C30H25N3O4S2
Authors: Rubin-Preminger J. M. , Illos R. A. , Bittner S.
Published: September 2014

C30H25N3O4S2, monoclinic, P121/c1 (No. 14), a = 7.031(2) Å, b = 33.12(1) Å, c = 13.149(4) Å, β = 119.63(1)°, V = 2661.9 Å3, Z = 4, Rgt(F) = 0.058, wRref(F2) = 0.174, T = 293 K.
Crystal structure of catena-poly{[tetra[μ-(benzoato-O,O′)]dicopper(II)]-μ-2-N,N′-(4,4″-bi-3,5-dimethylpyrazolate)} hydrate, [Cu2(O2CC6H5)4(C10N4H14)] · H2O
Authors: Huang H. , Jin Q.-H. , Yu S.-Y. , Ma H.-W. , Li S.-H. , Huang H.-P. , Yu K.-B.
Published: September 2014

C38H36Cu2N4O9, monoclinic, C12/c1 (No. 15), a = 18.336(4) Å, b = 19.494(4) Å, c = 11.389(2) Å, β = 113.76(1)°, V = 3725.9 Å3, Z = 4, Rgt(F) = 0.029, wRref(F2) = 0.073, T = 296 K.
Crystal structure of di(2,2′-bipyridine)di[μ-(2,3-dimethoxylbenzoato- O,O′)]di[μ-(2,3-dimethoxylbenzoato-O,O′:O′)]di(nitrato)diterbium(III), Tb2(NO3)2(C9H9O4)4(C10H8N2)2
Authors: Li X. , Zou Y.-Q.
Published: September 2014

C28H26N3O11Tb, triclinic, P1̅ (No. 2), a = 10.620(7) Å, b = 10.766(7) Å, c = 13.182(8) Å, α = 76.11(1)°, β = 79.51(1)°, β = 74.39(1)°, V = 1398.0 Å3, Z = 2, Rgt(F) = 0.062, wRref(F2) = 0.151, T = 293 K.
Crystal structure of bis[2-(benzylamino)-6-methylpyridinato]- bis(hexahydro-2-azepinato)zirconium(IV), C38H46N6O2Zr
Authors: Kempe R. , Hillebrand G.
Published: September 2014

C38H46N6O2Zr, monoclinic, P121/c1 (No. 14), a = 13.575(3) Å, b = 15.903(3) Å, c = 17.404(3) Å, β = 106.85(3)°, V = 3596.0 Å3, Z = 4, Rgt(F) = 0.046, wRref(F2) = 0.126, T = 293 K.
Crystal structure of (S)-3-(Z-1′,3′-butadienyl)-4-phenylthiazoline-2-one, C13H13NOS, a chiral 1-amino-diene useful in Diels-Alder cycloaddition reactions
Authors: Tinant B. , Robiette R. , Marchand-Brynaert J.
Published: September 2014

C13H13NOS, monoclinic, P1211 (No. 4), a = 6.144(2) Å, b = 12.398(5) Å, c = 8.160(3) Å, β = 97.00(2)°, V = 616.9 Å3, Z = 2, Rgt(F) = 0.044, wRref(F2) = 0.103, T = 293 K.
Crystal structure of tris(1,10-phenanthroline-N,N′)nickel(III) 1,2,4,5-benzene-tetracarboxylate, C51H30N6NiO12
Authors: Li X.-H. , Hu M.-L.
Published: September 2014

C51H30N6NiO12, triclinic, P1̅̅ (No. 2), a = 12.402(7) Å, b = 12.908(8) Å, c = 14.471(9) Å, α = 96.44(1)°, β = 106.45(1)°, γ = 105.12(1)°, V = 2101.1 Å3, Z = 2, Rgt(F) = 0.079, wRref(F2) = 0.170, T = 298 K.
Crystal structure of hexaaquanickel(II) dinitrate hexamethylenetetramine hydrate (1:2:4), Ni(H2O)6(NO3)2 · (C6H12N4)2 · 4H2O
Authors: Ma J.-L. , Qiu X.-Y. , Shao S.-C. , Yang S. , Sun L. , Zhu H.-L.
Published: September 2014

C12H44N10NiO16, triclinic, P1̅̅̅ (No. 2), a = 9.06(1) Å, b = 9.32(1) Å, c = 9.67(1) Å, α = 87.64(2)°, β = 75.59(2)°, γ = 61.11(1)°, V = 689.7 Å3, Z = 1, Rgt(F) = 0.056, wRref(F2) = 0.147, T = 298 K.
Crystal structure of trans-diaqua-bis(salicylaldehydato-O,O′) chromium(III) chloride, [Cr(C7H5O2)2(H2O)2]Cl
Authors: Zhu H.-L. , Qu Y. , You Z.-L. , Tan M.-Y. , Liu W.-S. , Ma J.-L.
Published: September 2014

C14H14ClCrO6, monoclinic, P121/c1 (No. 14), a = 8.998(18) Å, b = 18.68(4) Å, c = 4.945(10) Å, β = 105.95(2)°, V = 799.2 Å3, Z = 2, Rgt(F) = 0.069, wRref(F2) = 0.170, T = 298 K.
Crystal structure of dichloro(3-methylthio-2-methylpropyl)diphenylphosphine-palladium(II)—dichloromethane (1:1), Pd(C17H21PS)Cl2 · CH2Cl2
Authors: Al-Shami E. M. , Abu-Surrah A. S. , Klinga M. , Ahlgren M. , Hodali H. A
Published: September 2014

C18H23Cl4PPdS, monoclinic, P121/n1 (No. 14), a = 11.8279(1) Å, b = 14.6142(2) Å, c = 12.4063(1) Å, β = 93.876(1)°, V = 2139.6 Å3, Z = 4, Rgt(F) = 0.021, wRref(F2) = 0.049, T = 120 K.
Crystal structure of nonafluoro-{N-[(E)-2-(2-hydroxyphenyl)diazenyl]-phenyl}-1-butanesulfonamide, C16H10F9N3O3S
Authors: Àlvarez Micó X. , Richter M. , Schwarz S. , Strähle J. , Ziegler T. , Subramanian L. R.
Published: September 2014

C16H10F9N3O3S, monoclinic, P121/c1 (No. 14), a = 5.6549(3) Å, b = 12.2550(9) Å, c = 27.170(6) Å, β = 90.446(8)°, V = 1882.8 Å3, Z = 4, Rgt(F) = 0.088, wRref(F2) = 0.261, T = 213 K.
Crystal structure of 7-(p-toluenesulfonyl)-7-aza-1,4-dithiacyclononane (Ts[9]aneNS2), C13H19NO2S3
Authors: Wilhelm M. , Strasdeit H.
Published: September 2014

C13H19NO2S3, monoclinic, P21 (No. 4), a = 11.7973(9) Å, b = 5.6054(3) Å, c = 11.9380(9) Å, β = 107.977(9)°, V = 750.9 Å3, Z = 2, Rgt(F) = 0.032, wRref(F2) = 0.083, T = 193 K.
Crystal structure of triaqua(1,10-phenanthroline-N,N′)sulfatonickel(II), Ni(H2O)3(C12H8N2)SO4
Authors: He H.-Y. , Zhou Y.-L. , Zhu L.-G.
Published: September 2014

C12H14N2NiO7S, monoclinic, P121/c1 (No. 14), a = 11.8362(9) Å, b = 9.9634(8) Å, c = 13.560(1) Å, β = 112.852(1)°, V = 1473.6 Å3, Z = 4, Rgt(F) = 0.042, wRref(F2) = 0.106, T = 293 K.
Crystal structure of lanthanum borocarbide, La10B9C12
Authors: Babizhetskyy V. , Mattausch Hj. , Simon A.
Published: September 2014

B9C12La10, tetragonal, P41212 (no. 92), a = 8.6447(4) Å, c = 25.787(2) Å, V = 1927.1 Å3, Z = 4, Rgt(F) = 0.043, wRref(F) = 0.065, T = 293 K.
Crystal structure of 2-(2′,4′-diphenylsulfonylbenzyl)pyridine, C24H19NO4S2
Authors: Khedhiri L. , Rzaigui M. , Heynderickx A. , Corval A. , Casalegno R.
Published: September 2014

C24H19NO4S2, triclinic, P1̅ (no. 2), a = 10.319(4) Å, b = 10.275(7) Å, c = 11.31(1) Å, α = 103.01(2)°, β = 96.40(2)°, γ = 64.37(3)°, V = 1053.7 Å3, Z = 2, Rgt(F) = 0.055, wRref(F) = 0.056, T = 296 K.
Crystal structure of tetraaqua-μ2-pyrazine-zinc(II) squarate, [Zn(H2O)4(C4H4N2)](C4O4)
Authors: Kirchmaier R. , Altin E. , Lentz A.
Published: September 2014

C8H12N2O8Zn, monoclinic, P121/n1 (no. 14), a = 7.188(1) Å, b = 11.331(2) Å, c = 7.237(2) Å, β = 91.38(2)°, V = 589.3 Å3, Z = 2, Rgt(F) = 0.034, wRref(F2) = 0.091, T = 293 K.
Crystal structure of tetraphenylphosphonium 4-azidobenzenesulfonate, P(C6H5)4[N3C6H4SO3]
Authors: Biesemeier Frank , Harms Klaus , Müller Ulrich
Published: September 2014

C30H24N3O3PS, orthorhombic, Pbca (no. 61), a = 15.9227(6) Å, b = 16.6085(5) Å, c = 39.822(2) Å, V = 10531.1 Å3, Z = 16, Rgt(F) = 0.034, wRref(F2) = 0.085, T = 193 K.
Crystal structure of (2SR,1′RS)-3-(1-naphthyl)-2-(2-oxocyclopentyl)- propionic acid methyl ester, C19H20O3
Authors: Berndt M. , Brüdgam I. , Hartl H. , Reißig H.-U.
Published: September 2014

C19H20O3, monoclinic, P121/n1 (no. 14), a = 9.214(2) Å, b = 18.470(4) Å, c = 10.194(2) Å, β= 113.451(4)°, V = 1591.6 Å3, Z = 4, Rgt(F) = 0.042, wRref(F2) = 0.123, T = 173 K.
Crystal structure of 1-isopropyl-15-oxatetracyclo[11.2.1.02,11.05,10]hexadeca- 3,5(10),6,8-tetraen-14-one, C18H20O2
Authors: Berndt M. , Brüdgam I. , Hartl H. , Reißig H.-U.
Published: September 2014

C18H20O2, monoclinic, C12/c1 (no. 15), a = 21.370(4) Å, b = 5.642(1) Å, c = 23.686(5) Å, β = 104.346(5)°, V = 2767.0 Å3, Z = 8, Rgt(F) = 0.042, wRref(F2) = 0.112, T = 173 K.
Crystal structure of (9aRS,10SR,10aRS)-8-methoxy-10-methyl-1,2,3,5,7, 9a,10,10a-octahydropyrrolo[1,2-b]isoquinoline-10-ol, C14H21NO2
Authors: Gross S. , Brüdgam I. , Hartl H. , Reißig H.-U.
Published: September 2014

C14H21NO2, monoclinic, P121/c1 (no. 14), a = 10.597(2) Å, b = 12.684(3) Å, c = 9.790(2) Å, β = 104.466(4)°, V = 1274.2 Å3, Z = 4, Rgt(F) = 0.042, wRref(F2) = 0.126, T = 173 K.
Crystal structure of 2-(2,3-dimethylphenylamino)pyridine, C13H14N2
Authors: Polamo M. , Talja M.
Published: September 2014

C13H14N2, monoclinic, P121/n1 (no. 14), a = 11.304(8) Å, b = 7.775(8) Å, c = 13.451(9) Å, β = 113.98(5)°, V = 1080.2 Å3, Z = 4, Rgt(F) = 0.050, wRref(F2) = 0.112, T = 193 K.
Crystal structure of (–)-hardwickiic acid, C19H27OCOOH
Authors: Chaichantipyuth C. , Muangsin N. , Chaichit N. , Roengsumran S. , Petsom A. , Watanabe T. , Ishikawa T.
Published: September 2014

C20H28O3, monoclinic, P21 (no. 4), a = 10.0279(2) Å, b = 11.1076(3) Å, c = 17.0856(4) Å, β = 105.522(1)°, V = 1833.7 Å3, Z = 4, Rgt(F) = 0.058, wRref(F2) = 0.159, T = 293 K.
Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane-4,9,14-triol, C9H18O3S6
Authors: Sun Y.-Q. , Zahn G. , Guo Y.-W
Published: September 2014

C9H18O3S6, orthorhombic, Pbca (no. 61), a = 17.419(2) Å, b = 10.6391(9) Å, c = 17.445(2) Å, V = 3232.9 Å3, Z = 8, Rgt(F) = 0.079, wRref(F2) = 0.252, T = 293 K.
Crystal structure of [9,22-(bisbutyloxy)hemiporphyrazinato]nickel(II), C34H30N8O2Ni
Authors: Haberroth K. , Hanack M. , Maichle-Mössmer C.
Published: September 2014

C34H30N8NiO2, monoclinic, P121/n1 (no. 14), a = 14.048(4) Å, b = 4.7256(1) Å, c = 21.491(6) Å, β = 99.10(1)°, V = 1408.7 Å3, Z = 2, Rgt(F) = 0.054, wRref(F) = 0.059, T = 293 K.
Crystal structure of (2R,2′R,5R,5′R)-1,1′-bis[1-(2-tert-butyl-1-carboxytert- butyl-3-methyl-4-oxo-imidazolidine-5-yl)-1-methyl]ferrocene, Fe(C21H33N2O3)2
Authors: Nöth H. , Dialer H. , Habereder T. , Beck W.
Published: September 2014

C42H66FeN4O6, orthorhombic, P212121 (no. 19), a = 10.7723(9) Å, b = 11.7128(8) Å, c = 33.392(3) Å, V = 4213.2 Å3, Z = 4, Rgt(F) = 0.071, wRref(F2) = 0.158, T = 193 K.
Crystal structure of 1,3-di[2-(4,5-dihydrooxazole)]benzene, C12H12N2O2
Authors: Chen S.-H. , Li S.-F. , Zou Y. , Yang L. , Chen B. , Zhu H.-L.
Published: September 2014

C12H12N2O2, monoclinic, P121/c1 (no. 14), a = 7.033(4) Å, b = 14.768(9) Å, c = 10.377(6) Å, β = 96.026(9)°, V = 1071.8 Å3, Z = 4, Rgt(F) = 0.054, wRref(F2) = 0.181, T = 293 K.
Crystal structure of (η4-cycloocta-1,5-dien)(1,2-bis(diethylphosphino)- ethane)rhodium(I) tetrafluoroborate, [Rh(C8H12)(C10H24P2)](BF4)
Authors: Kempe R. , Spannenberg A. , Heller D. , Drexler H.-J.
Published: September 2014

C18H36BF4P2Rh, monoclinic, P121/n1 (no. 14), a = 15.522(3) Å, b = 9.173(2) Å, c = 15.862(3) Å, β = 103.91(3)°, V = 2192.3 Å3, Z = 4, Rgt(F) = 0.037, wRobs(F2) = 0.087, T = 200 K.
Crystal structure of dieuropium lithium trigermanide, Eu2LiGe3
Authors: Xie Q.-X. , Nesper R.
Published: September 2014

Eu2Ge3Li, orthorhombic, Pnnm (no. 58), a = 10.968(2) Å, b = 11.687(2) Å, c = 4.5482(7) Å, V = 583.0 Å3, Z = 4, Rgt(F) = 0.023, wRref(F2) = 0.048, T = 293 K.
Crystal structure of ytterbium lithium digermanide, YbLiGe2
Authors: Xie Q.-X. , Nesper R.
Published: September 2014

Ge2LiYb, orthorhombic, Pnma (no. 62), a = 7.939(2) Å, b = 3.882(1) Å, c = 10.524(3) Å, V = 324.4 Å3, Z = 4, Rgt(F) = 0.030, wRref(F2) = 0.064, T = 293 K.
Crystal structure of calcium zinc silicide, CaZnxSi2–x (x = 0.80), and strontium germanium silicide, SrGexSi2–x (x = 1.20)
Authors: Xie Q.-X. , Nesper R.
Published: September 2014

CaSi1.20Zn0.80, hexagonal, P6/mmm (no. 191), a = 4.1423(3) Å, c = 4.3176(4) Å, V = 64.2 Å3, Z = 1, Rgt(F) = 0.018, wRref(F2) = 0.042, T = 293 K.

Ge1.20Si0.80Sr, hexagonal, P6/mmm (no. 191), a = 4.360(1) Å, c = 4.537(2) Å, V = 74.7 Å3, Z = 1, Rgt(F) = 0.038, wRref(F2) = 0.085, T = 293 K.
Crystal structure of tetraaquatrissuccinatodierbium hexahydrate, Er2(H2O)4(C4H4O4)3 · 6H2O
Authors: Sun J. , Zheng Y.-Q. , Lin J.-L.
Published: September 2014

C12H32Er2O22, triclinic, P1̅ (no. 2), a = 6.517(1) Å, b = 9.774(1) Å, c = 10.466(1) Å, α = 80.19(1)°, β = 89.84(1)°, γ = 71.37(1)°, V = 621.5 Å3, Z = 1, Rgt(F) = 0.031, wRref(F2) = 0.080, T = 293 K.
Crystal structure of 2-((1-(1-adamantyl)ethyl)iminomethyl)phenol, C19H25NO
Authors: Shi X. , Lü Z.-X. , Zhao G.-L.
Published: September 2014

C19H25NO, monoclinic, P1211 (no. 4), a = 6.4436(8) Å, b = 16.438(2) Å, c = 15.340(2) Å, β = 98.536(2)°, V = 1606.9 Å3, Z = 4, Rgt(F) = 0.079, wRref(F2) = 0.172, T = 293 K.
Crystal structure of 1,3-bis(triphenylphosphonium)propane tetrakis(peroxo) tungstate tetrahydrate, [C3H6{P(C6H5)3}2][WO8] · 4H2O
Authors: Shi X.-Y. , Wei J.-F.
Published: September 2014

C39H44O12P2W, monoclinic, C12/c1 (no. 15), a = 31.985(1) Å, b = 13.3294(5) Å, c = 23.158(1) Å, β = 123.975(2)°, V = 8188.1 Å3, Z = 8, Rgt(F) = 0.041, wRref(F2) = 0.105, T = 296 K.
Crystal structure of 1-butyl-3-cyclododecyloxymethylimidazolium chloride monohydrate, (C20H37N2O)Cl · H2O
Authors: Królikowska M. , Skrzypczak A.
Published: September 2014

C20H39ClN2O2, triclinic, P1̅ (no. 2), a = 8.078(2) Å, b = 8.517(2) Å, c = 16.743(3) Å, α = 81.62(3)°, β = 77.27(3)°, ϒ = 78.94(3)°, V = 1096.3 Å3, Z = 2, Rgt(F) = 0.055, wRref(F2) = 0.205, T = 293 K.
Crystal structure of bis(bis(3-methoxysalicylaldehydato)copper(II)) hexakis(adamantylammonium) hexaperchlorate dihydrate, [{Cu(C8H7O3)2}2] · (C10H15NH3)6(ClO4)6 · 2H2O
Authors: Lin H. , Su H. , Feng Y.-L.
Published: September 2014

C92H140Cl6Cu2N6O38, triclinic, P1̅ (no. 2), a = 12.819(3) Å, b = 13.240(3) Å, c = 16.721(3) Å, α = 95.25(3)°, β = 103.27(3)°, ϒ = 106.01(3)°, V = 2618.5 Å3, Z = 1, Rgt(F) = 0.071, wRref(F2) = 0.220, T = 293 K.
Crystal structure of 5,17-bis(N-tert-butylhydroxyamine)-11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene, C48H64Br2N2O6
Authors: Zhang H. , Hu X.-J. , Liu J.-K. , Li Y. , Yang H.-J. , Wang R.-J.
Published: September 2014

C48H64Br2N2O6, monoclinic, P121/c1 (no. 14), a = 13.935(3) Å, b = 20.589(3) Å, c = 17.349(4) Å, β = 99.09(2)°, V = 4915.1 Å3, Z = 4, Rgt(F) = 0.070, wRref(F2) = 0.149, T = 295 K.
Crystal structure of bis(pentamethylcyclopentadienyl)difluorotitanium(IV), Ti[C5(CH3)5]2F2
Authors: Nuss H. , Jansen M.
Published: September 2014

C20H30F2Ti, monoclinic, P121/c1 (no. 14), a = 15.881(2) Å, b = 15.119(1) Å, c = 16.068(2) Å, β = 109.575(3)°, V = 3635.1 Å3, Z = 8, Rgt(F) = 0.054, wRref(F2) = 0.140, T = 100 K.
Crystal structure of (diethyl ether)-tetrachloro-dimethylamido-tantalum(V), TaCl4(C2H6N)(C4H10O)
Authors: Blöß S. P. , Nuss J. , Jansen M.
Published: September 2014

C6H16Cl4NOTa, monoclinic, P121/c1 (no. 14), a = 13.975(2) Å, b = 12.494(2) Å, c = 15.318(2) Å, β = 91.717(3)°, V = 2673.4 Å3, Z = 8, Rgt(F) = 0.070, wRref(F2) = 0.171, T = 100 K.
Crystal structure of rel-(2R,3S)-2-bromomethyl-3-phenyl-3,4-dihydro- 2H-pyrrole 1-oxide, C11H12BrNO
Authors: Frey W. , Gulla M. , Jäger V.
Published: September 2014

C11H12BrNO, orthorhombic, Pccn (no. 56), a = 13.1274(7) Å, b = 23.309(1) Å, c = 6.995(1) Å, V = 2140.4 Å3, Z = 8, Rgt(F) = 0.065, wRref(F2) = 0.207, T = 293 K.
Crystal structure of 4-hexyl-4'-hydroxyazobenzene isopropanol hemisolvate, C18H22N2O · ½C3H8O
Authors: Nasiri H. R. , Bolte M. , Lorch M. , Schwalbe H.
Published: September 2014

C19.5H26N2O1.5, triclinic, P1̅ (no. 2), a = 6.1744(8) Å, b = 14.915(2) Å, c = 19.453(3) Å, α = 87.55(1)°, β = 84.37(1)°, ϒ = 88.94(1)°, V = 1781.0 Å3, Z = 4, Rgt(F) = 0.059, wRref(F2) = 0.160, T = 173 K.
Crystal structure of trans-dichloro(dimethylsulfoxide)(diphenylsulfimide)- platinum(II) toluene hemisolvate, PtCl2(C2H6SO)(C12H10SNH) · ½C7H8
Authors: Scaffidi-Domianello Yu. Yu. , Haukka M. , Kelly P. F. , Galanski M. , Keppler B. K. , Kukushkin V. Yu.
Published: September 2014

C17.5H21Cl2NOPtS2, monoclinic, P121/n1 (no. 14), a = 13.0955(6) Å, b = 8.5320(6) Å, c = 17.934(1) Å, β = 92.776(4)°, V = 2001.4 Å3, Z = 4, Rgt(F) = 0.023, wRref(F2) = 0.054, T = 100 K.
Crystal structures of trigadolinium tetraphosphidoheptapalladate, Gd3Pd7P4, and triterbium tetraphosphidoheptapalladate, Tb3Pd7P4
Authors: Budnyk S. , Prots Yu. , Kuz'ma Yu. B. , Grin Yu.
Published: September 2014

Gd3P4Pd7, monoclinic, C12/m1 (no. 12), a = 15.348(3) Å, b = 3.999(1) Å, c = 9.386(2) Å, β = 125.86(1)°, V = 466.9 Å3, Z = 2, Rgt(F) = 0.024, wRref(F2) = 0.056, T = 293 K.

P4Pd7Tb3, monoclinic, C12/m1 (no. 12), a = 15.297(3) Å, b = 3.985(1) Å, c = 9.364(2) Å, β = 125.72(1)°, V = 463.4 Å3, Z = 2, Rgt(F) = 0.026, wRref(F2) = 0.065, T = 293 K.
Crystal structure of rubidium scandium (monophosphate-hydrogenmonoborate- monophosphate), RbSc[BP2O8(OH)]
Authors: Menezes P. W. , Hoffmann S. , Prots Yu. , Kniep R.
Published: September 2014

BHO9P2RbSc, triclinic, P1̅ (no. 2), a = 5.3296(2) Å, b = 8.3919(8) Å, c = 8.4319(5) Å, α = 87.27(1)°, β = 80.124(6)°, γ = 86.60(1)°, V = 370.6 Å3, Z = 2, Rgt(F) = 0.024, wRref(F2) = 0.066, T = 293 K.
Refinement of the crystal structure of europium digallide, EuGa2
Authors: Sichevych O. , Cardoso-Gil R. , Grin Yu.
Published: September 2014

EuGa2, orthorhombic, Imma (no. 74), a = 4.6459(3) Å, b = 7.6255(5) Å, c = 7.6379(3) Å, V = 270.6 Å3, Z = 4, Rgt(F) = 0.017, wRref(F) = 0.023, T = 293 K.
Crystal structure of distrontium oxide diiodide, Sr2OI2
Authors: Reckeweg O. , DiSalvo F. J.
Published: September 2014

I2OSr2, orthorhombic, Ibam (no. 72), a = 7.412(1) Å, b = 12.955(3) Å, c = 6.475(1) Å, V = 621.8 Å3, Z = 4, Rgt(F) = 0.031, wRref(F2) = 0.060, T = 173 K.
Crystal structure of 2-bromo-1,4,5,7,8-pentamethoxynaphthalene, C10H2Br(OCH3)5
Authors: Sörgel S. , Brüdgam I. , Hartl H. , Reißig H.-U.
Published: September 2014

C15H17BrO5, monoclinic, P121/n1 (no. 14), a = 11.295(2) Å, b = 23.628(5) Å, c = 16.610(3) Å, β = 92.145(5)°, V = 4429.7 Å3, Z = 12, Rgt(F) = 0.038, wRref(F2) = 0.105, T = 173 K.
Crystal structure of (1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol- 1-yl)acetic acid (2-hydroxy-benzylidene)hydrazide, C24H27N3O3
Authors: Song Q.-B. , Zhang J.
Published: September 2014

C24H27N3O3, monoclinic, P121/c1 (no. 14), a = 11.376(1) Å, b = 15.955(2) Å, c = 12.254(1) Å, β = 97.352(2)°, V = 2205.8 Å3, Z = 4, Rgt(F) = 0.051, wRref(F2) = 0.152, T = 293 K.
Crystal structure of catena-[(1,10-phenanthroline-N,N′)- bis(μ-acetato-O,O′)lead(II)], Pb(C12H8N2)(CH3COO)2
Authors: Cheng M.-Q. , Ma L.-F. , Wang L.-Y.
Published: September 2014

C16H14N2O4Pb, monoclinic, C12/c1 (no. 15), a = 10.945(1) Å, b = 20.499(2) Å, c = 7.4643(7) Å, β = 107.653(1)°, V = 1595.8 Å3, Z = 4, Rgt(F) = 0.019, wRref(F2) = 0.051, T = 291 K.
Crystal structure of tetrakis(melaminium) 1,2,4,5-benzenetetracarboxylate octahydrate, (C3H7N6)4[C6H2(COO)4] · 8H2O
Authors: Du Z.-X. , Han M.-L. , Feng X.
Published: September 2014

C22H46N24O16, triclinic, P1̅ (no. 2), a = 7.0706(6) Å, b = 9.7952(8) Å, c = 14.790(1) Å, α = 105.879(1)°, β = 91.608(1)°, γ = 96.254(1)°, V = 977.6 Å3, Z = 1, Rgt(F) = 0.049, wRref(F2) = 0.150, T = 295 K.
Crystal structure of catena-poly[(μ-2-aminopyrimidine-N,N′)bis(μ-chloro)- bis(triphenylphosphine)dicopper(I)], Cu2Cl2[P(C6H5)3]2(C4H5N3)
Authors: Jin Q.-H. , Dong J.-C. , Gao H.-W. , Xin X.-L. , Yang L. , Li P.-Z.
Published: September 2014

C40H35Cl2Cu2N3P2, triclinic, P1̅ (no. 2), a = 9.5428(2) Å, b = 14.5428(3) Å, c = 15.2025(3) Å, α = 66.797(1)°, β = 72.523(1)°, γ = 78.859(1)°, V = 1842.8 Å3, Z = 2, Rgt(F) = 0.036, wRref(F2) = 0.081, T = 273 K.
Crystal structure of ethylenediammonium-N,N′-di-3-propionic acid tetrachloroplatinate(II), (CH2NH2(CH2)2COOH)2[PtCl4]
Authors: Kaluðerović G. N. , Bogdanović G. A. , Sabo T. J.
Published: September 2014

C8H18Cl4N2O4Pt, monoclinic, P121/n1 (no. 14), a = 8.181(3) Å, b = 10.303(5) Å, c = 9.073(6) Å, β = 103.2(1)°, V = 744.6 Å3, Z = 2, Rgt(F) = 0.080, wRref(F2) = 0.247, T = 293 K.
Crystal structure of aquachloro[N,N′-bis(3-ethoxysalicylidene)propylenediiminato] manganese(III) dihydrate, [Mn(C21H24N2O4)Cl(H2O)] · 2H2O
Authors: Hwang I.-C. , Ha K.
Published: September 2014

C21H30ClMnN2O7, triclinic, P1̅ (no. 2), a = 10.029(2) Å, b = 11.561(2) Å, c = 11.689(2) Å, α = 106.331(3)°, β = 107.874(3)°, γ = 99.092(3)°, V = 1192.8 Å3, Z = 2, Rgt(F) = 0.071, wRref(F2) = 0.238, T = 293 K.
Crystal structure of N-benzoyl-4,4-dimethyl-2-methylamino-2-thiazoline, C13H16N2OS
Authors: Lee Y. B. , Kim T. H. , Hwang I.-C. , Ha K.
Published: September 2014

C13H16N2OS, monoclinic, C12/c1 (no. 15), a = 21.908(2) Å, b = 13.932(2) Å, c = 8.7971(9) Å, β = 101.952(2)°, V = 2626.9 Å3, Z = 8, Rgt(F) = 0.041, wRref(F2) = 0.113, T = 293 K.
Crystal structure of caffeinium perchlorate monohydrate, (C8H11N4O2)[ClO4] · H2O
Authors: Wang W.-D. , Wang H. , Feng W.-J. , Jin Z.-M. , Hu M.-L.
Published: September 2014

C8H13ClN4O7, monoclinic, P121/c1 (no. 14), a = 13.061(2) Å, b = 6.508(1) Å, c = 16.963(4) Å, β = 112.20(1)°, V = 1335.0Å3, Z = 4, Rgt(F) = 0.068, wRref(F2) = 0.228, T = 290 K.
Crystal structure of (acetonitrile-N)copper(I) cyanide, [Cu(CH3CN)][CN]
Authors: Keller H.-L. , Oldag T.
Published: September 2014

C3H3CuN2, monoclinic, P121/c1 (no. 14), a = 8.399(2) Å, b = 8.144(2) Å, c = 7.836(2) Å, β = 116.56(3)°, V = 479.4 Å3, Z = 4, Rgt(F) = 0.024, wRref(F2) = 0.059, T = 120 K.
Crystal structure of cyclonovobiocin, C44H42N2O12
Authors: Le Bras G. , Bekaert A. , Viossat B. , Peyrat J.-F. , Alami M. , Brion J. D. , Lemoine P.
Published: September 2014

C44H42N2O12, monoclinic, P121/c1 (no. 14), a = 5.437(5) Å, b = 32.564(5) Å, c = 10.922(5) Å, β = 99.818(5)°, V = 1905.4 Å3, Z = 2, Rgt(F) = 0.052, wRref(F2) = 0.174, T = 293 K.
Crystal structure of aqua(phenanthroline-N,N′)(glycinato-N,O)copper(II) bromide hydrate, [Cu(NH2CH2COO)(C12H8N2)(H2O)]Br · H2O
Authors: Jin Q.-H. , Yang L. , Xin X.-L. , Gao H.-W. , Dong J.-C. , Li P.-Z.
Published: September 2014

C14H16BrCuN3O4, monoclinic, P121/c1 (no. 14), a = 7.1063(2) Å, b = 21.0421(7) Å, c = 11.0447(4) Å, β = 95.974(2)°, V = 1642.6 Å3, Z = 4, Rgt(F) = 0.028, wRref(F2) = 0.078, T = 273 K.
Crystal structure of bis(1,10-phenanthroline-N,N′)silver(I) mononitrate, [Ag(C12H8N2)2][NO3]
Authors: Li P.-G. , Wang Q.-L. , Li D.-S. , Fu F. , Qi G.-C.
Published: September 2014

C24H16AgN5O3, orthorhombic, Fddd (no. 70), a = 3.668(1) Å, b = 30.046(9) Å, c = 38.88(1) Å, V = 4284.2 Å3, Z = 8, Rgt(F) = 0.064, wRref(F2) = 0.198, T = 273 K.
Crystal structure of bis(1,3-diaminepropane)carbonatomanganese(III) chloride monohydrate, [Mn(C3H10N2)2(CO3)]Cl · H2O
Authors: Xu S.-P. , Liu C.-H. , Shao J.
Published: September 2014

C7H22ClMnN4O4, monoclinic, P121/n1 (no. 14), a = 8.997(2) Å, b = 6.781(2) Å, c = 21.398(6) Å, β = 91.81(1)°, V = 1304.8 Å3, Z = 4, Rgt(F) = 0.047, wRref(F2) = 0.132, T = 293 K.
Crystal structure of 3,4,7,8-bis(1,2-dicarba-closo-dodecaborano[1,2])- 1,2,5,6-tetraselenacyclooctane benzene solvate, [(C2B10H10)Se2]2 · C6D6
Authors: García-Hernández Z. , Wrackmeyer B. , Herberhold M. , Irrgang T. , Kempe R.
Published: September 2014

C10H26B20Se4, monoclinic, P121/n1 (no. 14), a = 10.3649(4) Å, b = 13.8582(7) Å, c = 18.3667(8) Å, β = 95.460(3)°, V = 2626.2 Å3, Z = 4, Rgt(F) = 0.040, wRref(F2) = 0.097, T = 193 K.
Crystal structure of bis(N-ethylpyridinium) bis(2-thioxo-1,3-dithiole- 4,5-dithiolato)mercurate(II), (C7H10N)2[Hg(C3S5)2]
Authors: Wang Y.-L. , Yu W.-T. , Xu D. , Wang X.-Q. , Guo W.-F. , Zhang G.-H.
Published: September 2014

C20H20HgN2S10, monoclinic, C12/m1 (no. 12), a = 20.286(4) Å, b = 14.598(3) Å, c = 10.007(2) Å, β = 104.964(3)°, V = 2862.8 Å3, Z = 4, Rgt(F) = 0.034, wRref(F2) = 0.091, T = 293 K.
Crystal structure of tetragadolinium hexaiodide monogermanide, Gd4I6Ge
Authors: Lukachuk M. , Mattausch Hj. , Simon A.
Published: September 2014

Gd4GeI6, monoclinic, C12/c1 (no. 15), a = 19.315(2) Å, b = 12.101(1) Å, c = 13.531(1) Å, β = 97.545(8)°, V = 3135.2 Å3, Z = 8, Rgt(F) = 0.057, wRref(F2) = 0.094, T = 293 K.
Crystal structure of 2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine)glycin, C8H8FN3O5
Authors: Xiong J. , Lei X.-X. , Hu M.-L. , Yuan J.-X. , Cai X.-Q.
Published: September 2014

C8H8FN3O5, monoclinic, P121/c1 (no. 14), a = 10.207(1) Å, b = 4.5723(6) Å, c = 22.760(3) Å, β = 112.007(5)°, V = 984.8 Å3, Z = 4, Rgt(F) = 0.068, wRref(F2) = 0.140, T = 298 K.
Crystal structure of dichloro((N-(N′,N′-dimethylammonio)ethyl)- 2,4-dichlorosalicylaldiminato-N,O)copper(II), Cu(C11H14Cl2N2O)Cl2
Authors: Ma J.-Y. , Wu T.-X. , She X.-G. , Pan X.-F.
Published: September 2014

C11H14Cl4CuN2O, orthorhombic, P212121 (no. 19), a = 7.737(2) Å, b = 10.131(2) Å, c = 20.229(3) Å, V = 1585.6 Å3, Z = 4, Rgt(F) = 0.040, wRref(F2) = 0.079, T = 298 K.
Crystal structure of hexadecyltrimethylammonium bis(1,3-dithiole- 2-thione-4,5-dithiolato)aurate(III), [C16H33(CH3)3N][Au(C3S5)2]
Authors: Li T.-B. , Xu D. , Yu W.-T. , Zhang G.-H. , Wang X.-Q.
Published: September 2014

C25H42AuNS10, triclinic, P1̅ (no. 2), a = 9.806(5) Å, b = 10.298(5) Å, c = 18.660(5) Å, α = 85.925(5)°, β = 79.413(5)°, γ = 73.551(5)°, V = 1776.1 Å3, Z = 2, Rgt(F) = 0.061, wRref(F2) = 0.164, T = 293 K.
Crystal structure of tetraaquabis(4-nitropyridine N-oxide-O)nickel(II) dinitrate, [Ni(H2O)4(ONC5H4NO2)2][NO3]2
Authors: Zhao M.-G.
Published: September 2014

C10H16N6NiO16, monoclinic, P121/c1 (no. 14), a = 8.332(2) Å, b = 11.336(2) Å, c = 11.087(2) Å, β = 102.430(3)°, V = 1022.7 Å3, Z = 2, Rgt(F) = 0.042, wRref(F2) = 0.095, T = 298 K.
Crystal structure of bis(1,10-phenanthroline-N,N′)bis(4-fluorobenzoato- O,O′)tetrakis(μ-4-fluorobenzoato-O,O′)didysprosium(III), Dy2(C6H4FCOO)6(C12H8N2)2
Authors: Ju Y.-L. , Li X. , Zhang T.-T.
Published: September 2014

C66H40Dy2F6N4O12, triclinic, P1̅ (no. 2), a = 9.915(1) Å, b = 11.775(1) Å, c = 14.775(2) Å, α = 106.704(2)°, β = 107.835(2)°, γ = 101.476(2)°, V = 1493.0 Å3, Z = 1, Rgt(F) = 0.029, wRref(F2) = 0.074, T = 294 K.
Crystal structure of 1,5-cyclooctadiene-bis[(4-methyl-pyridin-2-yl)- trimethylsilanyl-amido]ruthenium(II), Ru(C8H12)(C9H15N2Si)2
Authors: Deeken S. , Irrgang T. , Kempe R.
Published: September 2014

C26H42N4RuSi2, monoclinic, C12/c1 (no. 15), a = 16.399(2) Å, b = 16.138(2)Å, c = 21.349(2)Å, β = 96.735(7)°, V = 5611.0Å3, Z = 8, Rgt(F) = 0.034, wRref(F2) = 0.097, T = 193 K.
Crystal structure of taxuspinanane A acetonitrile solvate, C47H59NO14 · CH3CN
Authors: Buchta M. , Jegorov A. , Hušák M. , Čejka J. , Kratochvíl B. , Kuzma M. , Sedmera P.
Published: September 2014

C49H62N2O14, orthorhombic, P212121 (no. 19), a = 9.46370(3)Å, b = 12.29468(3) Å, c = 40.46176(4) Å, V = 4707.9 Å3, Z = 4, Rgt(F) = 0.102, wRref(F) = 0.099, T = 150 K.
Dimensionality Reduction and Generation of Human Motion
Authors: Qu Shi , Wu Ling-da , Yu Rong-huan , Wei Ying-mei
Published: September 2014

To reuse existing motion data and generate new motion, a method of human motion nonlinear dimensionality reduction and generation, based on fast adaptive scaled Gaussian process latent variable models, is proposed. Through statistical learning on motion data, the motion data are mapped from high-dimensional observation space to low-dimensional latent space to implement nonlinear dimensionality reduction, and probability distributing of posture space which measures the nature of posture is obtained. The posture which meets constraints and has maximal probability can be computed as the solution of inverse kinematics. This method can avoid cockamamie computation and posture distortion existing in traditional inverse kinematics.The experiments show that our method has higher convergence velocity and precision and extends editing range of motion by adapting motion editing direction.
Handwritten Documents Text Line Segmentation based on Information Energy
Authors: Boiangiu Costin Anton , Tanase Mihai Cristian , Ioanitescu Radu
Published: September 2014

The first step in the text recognition process is represented by the text line segmentation procedures. Only after text lines are correctly identified can the process proceed to the recognition of individual characters. This paper proposes a line segmentation algorithm based on the computation of an information content level, called energy, for each pixel of the image and using it to execute the seam carving procedure. The algorithm proposes the identification of text lines which follow the text more accurately with the expected downside of the computational overhead.
Development of an Agent Based Specialized Multi-Lingual Web Browser for Visually Handicapped
Authors: Ramalingam Ponnusamy , Babu Satish , Chitralekha T.
Published: September 2014

In the modern age everyone needs access to Internet; Visually handicapped are not an exception for that. SPECS (SPEcialized Computer System) is a system developed to give access to the visually handicapped.  It has a Braille shell. The user can enter his spoken language. After the selection of the language the user can present his request to the browser through chosen language in Braille. The output generated by the browser is given out as voice message.  The effectiveness of this system is measured based on number of requests processed, access speed and precision of the system
Network Anomaly Detection based on Multi-scale Dynamic Characteristics of Traffic
Authors: Yuan Jing , Yuan Ruixi , Chen Xi
Published: September 2014

This paper proposes a novel detection engine, called the Wavelet-Recurrence-Clustering (WRC) detection model, to study the network anomaly detection problem that is widely attractive in Internet security area. The WRC model firstapplies the wavelet transform and recurrence analysis to calculate the multi-scale dynamic characteristics of network traffic, and then identifies network anomalies throughthe clustering algorithm with those dynamic characteristics. The evaluation results on DARPA 1999 dataset indicate that the WRC detection model can effectively improve the detection accuracy with a low false alarm rate.
Novel CYP2E1 haplotype identified in a South African cohort
Authors: Heathfield Laura J. , Dalvie Shareefa , Kalideen Kusha , Dandara Collet
Published: September 2014

Alcohol abuse accounts for approximately 2.5 million deaths annually and is the third highest risk factor for disease and disability. Alcohol is metabolised by polymorphic enzymes and the status of an individual with respect to alcohol metabolising enzymes may have forensic relevance in post-mortems. Baseline frequencies of gene variants involved in alcohol metabolism need to be established to aid the identification of suitable population-specific polymorphisms to genotype during molecular autopsies. The principal alcohol metabolising enzymes include alcohol dehydrogenase (ADH), aldehyde dehydrogenase (ALDH) and cytochrome P450 2E1 (CYP2E1). Six single nucleotide polymorphisms (SNPs) – rs1229984G>A and rs2066702C>T in ADH1B, rs671G>A in ALDH2, and rs3813867G>C, rs2031920C>T and rs6413432T>A in CYP2E1 – were genotyped in 150 individuals from four South African populations: Xhosa, Zulu, South African white and South African coloured. Allele frequencies for each SNP in the four population groups were 0–10% for rs1229984A, 2–12% for rs2066702T, 0–2% for rs671A, 1–4% for rs3813867C, 0–1% for rs2031920T and 3–15% for rs6413432A. Haplotype analysis revealed a novel combination of three SNPs in CYP2E1 whose effects on alcohol metabolism need further investigation. Establishment of baseline frequencies adds to our knowledge of genetic variation in alcohol metabolising enzymes and additional research is required to determine the functional significance of this novel CYP2E1 haplotype.
Effect of mutualist partner identity on plant demography
Authors: Bruna Emilio M. , Izzo Thiago J. , Inouye Brian D. , Vasconcelos Heraldo L.
Published: September 2014

Mutualisms play a central role in the origin and maintenance of biodiversity. Because many mutualisms have strong demographic effects, interspecific variation in partner quality could have important consequences for population dynamics. Nevertheless, few studies have quantified how a mutualist partner influences population growth rates, and still fewer have compared the demographic impacts of multiple partner species. We used integral projection models parameterized with three years of census data to compare the demographic effects of two ant species,Crematogaster laevisandPheidole minutula, on populations of the Amazonian ant plantMaieta guianensis. Estimated population growth rates were positive (i.e., λ > 1) for all ant–plant combinations. However, populations with onlyPheidole minutulahad the highest asymptotic growth rate (λ = 1.23), followed by those colonized byCrematogaster laevis(λ = 1.16), and in which the partner ant alternated betweenC. laevisandP. minutulaat least once during our study (λ = 1.15). Our results indicate that the short‐term superiority of a mutualist partner (in this system,P. minutulais a better defender of plants against herbivores thanC. laevis) can have long‐term demographic consequences. Furthermore, the demographic effects of switching among alternative partners appear to be context dependent, with no benefits to plants hostingC. laevisbut a major cost of switching to plants hostingP. minutula. Our results underscore the importance of expanding the study of mutualisms beyond the study of pair‐wise interactions to consider the demographic costs and benefits of interacting with different, and multiple, potential partners.
Ultrasonic Log Response in Lightweight Cement Conditions
Authors: Thomas Sonia , Smith Charles H. , Williams Brett W. , Hamilton Layne
Published: September 2014

Lightweight cement can present unique challenges to efficient and accurate evaluation of cement sheath integrity. Standard bond log tools require strong compressional bonding to casing to observe an attenuation of the sonic signal that is set up inside the casing. Lightweight cement often experiences less cohesion to casing because of its lowered fluid density when pumped and lower compressive strength after being set up. These properties can negatively affect measurement.

Definition of the cement sheath must still be determined using a method that is both valid and repeatable. The industry has demonstrated the ability to accomplish this task using ultrasonic logging tools. These devices allow very precise definition of the cement sheath using 360° examination of the data, but still require innovative interpretation techniques to derive useful solutions regarding the isolation capability of the cement.

Additional complication is introduced when consolidated efficiency fluid material is pumped as an isolation fluid. This fluid material is lighter weight and has lower compressive strength than even the lightest cements. However, isolation of the reservoirs from surface water and the ability to fracture treat wells with restrained fluid mobility must still be determined.

This paper demonstrates the application of ultrasonic cement evaluation tools under these difficult conditions. Examples of conventional cement, lightweight cement, and consolidated efficiency fluid isolation fluids are considered. The processed logs highlight the confidence in the reservoir isolation identified using these tools and evaluation techniques.
Correlation of High Hydrogen Sulfide Concentration to Deep Features, in Eagle Ford Shale Wells, McMullen County, Texas
Authors: DuBois P. F. , Rogers J. B. , Lamond R. E.
Published: September 2014

Early development of Eagle Ford Shale (EFS) indicated the reservoir was relatively sweet, typically producing H2S in low concentrations (<1%). However in McMullen Co. TX, wells with high concentration (>4%) are found. Mapping raw untreated H2S gas concentration shows a direct correlation to salt domes and subsequent deep faulting. The enigma has been high H2S wells offset by low H2S wells, not associated with salt domes or faulting. Micro-seismic and re-processed seismic data revealed that deep faults do intersect these wellbores. This additional data indicates that deep faulting into the Edwards creates a conduit for the H2S to enter the EFS. Mapping of these deep features allows for the prediction of areas with high H2S.

Initially, long range plans were made with sweet EFS oil in mind. Encountering wells with large concentrations of H2S in an otherwise sweet field has the potential to lead to operating inefficiencies and higher OPEX and CAPEX as treatment solutions are brought into place after the fact. The best solutions take time to implement and advance warning of high H2S is critical in minimizing the financial impact.

A model was generated, based on the expected H2S concentration and production forecast, that is capable of directing the long term drilling and completions strategy as well as to provide expectations for use in the construction of facilities and selection of H2S treatment options. The drilling and completion strategy minimized the amount of H2S that will be encountered and the optimization of facilities reduces operating inefficiencies and OPEX and CAPEX outlays.

Building on that correlation, deep features were used to predict high H2S wells and high H2S was used to predict and locate deep features not previously identified. Mapping of these deep features allows for the prediction of areas with high H2S and has lead to a change in drilling and completion strategies by avoiding features associated with high H2S.
A Correlational Study to Evaluate Minimum Detectable Leak Rate in Gas Wellbores Using Ultrasound Survey
Authors: Awolusi Femi , Syvertson David , Johns Joel
Published: September 2014

A wide variety of tools and methods are currently available to monitor casing integrity on a case-by-case basis. The use of mechanical integrity test (MIT) methods, to observe pressure communication between casing strings and formation, is often mandated by regulatory agencies when assessing the performance of cemented strings. The pressure monitoring test is the conventional MIT method mostly prescribed for wellbores in gas wells. However, pressure monitoring test require an iterative number of steps to determine the leak source and such determination preclude an estimate of gas leakage rate.

However, the ultrasonic or magnetic methods could offer a more direct assessment of casing integrity in gas wells without tubings. In this study, a wellhead test configuration was set-up on a gas cavern well with tubingless completion to simulate different casing leak scenarios whereby flow rates, pressure drops, and ultrasonic noise log responses were measured.

A ratio response scale was developed to normalize background noise inherent in ultrasound response data; and thereafter used to develop a minimum detectable leak rate (MDLR) estimate. The degree of association between measured variable (ultrasonic noise log response), and predictor variable (products of flow rates and differential pressures) was statistically established. The result showed that ultrasonic noise log could detect a minimum leak rate of 50 Mcf/d at a differential pressure of 75 psi.

The significance of this study was to provide a specific evaluation of the ultrasonic noise log as an alternative to conventional mechanical integrity test (MIT) for cemented strings in gas wells. The study, while contributing to the literature in ultrasonic noise log applications, also provides a framework for quantitative analysis of ultrasound data that may be suitable for future wellbore diagnostic works.