bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crystal structure of μ3-chloro-μ3-hydroxo-tris(μ-chloro)tris(tetramethylethylenediamine) trinickel(II) triiodide, [Ni3(C6H16N2)3Cl4(OH)][I3]
Authors: Miyamoto K. , Horn E. , Fukuda Y. 
Published: September 2014

AbstractC18H49Cl4I3N6Ni3O, triclinic, P1̅ (no. 2), a = 15.371(3) Å, b = 11.777(2) Å, c = 11.505(2) Å, α = 96.075(7)°, β = 84.816(6)°, ϒ = 111.562(6)°, V = 1923.1 Å3, Z = 2, Rgt(F) = 0.061, wRref(F) = 0.065, T = 273 K.
Crystal structure of 3S,4S,5R,6S,7R-5-amino-6-(tert-butyldimethylsiloxy)-7- (tert-butyldimethylsiloxymethyl)-3-hydroxymethyl-2,2-dimethyloxepan-4-ol, C22H49NO5Si2
Authors: Al-Harrasi A. , Brüdgam I. , Hartl H. , Reißig H.-U. 
Published: September 2014

AbstractC22H49NO5Si2, monoclinic, P1211 (no. 4), a = 10.529(2) Å, b = 8.152(1) Å, c = 16.554(3) Å, β = 98.015(4)°, V = 1406.9Å3, Z = 2, Rgt(F) = 0.064, wRref(F2) = 0.188, T = 173 K.
Crystal structure of dimethyl (2E)-2-[(tert-butylamino)(1,3-dimethyl- 2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]but-2-enedioate, C17H23N3O7
Authors: Zonouzi A. , Rahmani H. , Samareh Afsari H. 
Published: September 2014

AbstractC17H23N3O7, monoclinic, P121/c1 (no. 14), a = 15.231(3) Å, b = 15.641(3) Å, c = 7.800(2) Å, β = 97.53(3)°, V = 1842.2 Å3, Z = 4, Rgt(F) = 0.040, wRref(F2) = 0.115, T = 193 K.
Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1: 3/2), [N(C4H9)4][Tb(C8H4N2)2]·CH3OH· 3/2 H2O, and tetrabutylammonium bis(phthalocyaninato)dysprosium(III) methanol solvate hydrate (1:1:1), [N(C4H9)4][Dy(C8H4N2)2]·CH3OH·H2O
Authors: Loosli C. , Liu S.-X. , Neels A. , Labat G. , Decurtins S. 
Published: September 2014

Abstract C81H75N17O2.50Tb, orthorhombic, Pna21 (no. 33), a = 25.296(2) Å, b = 25.021(2) Å, c = 11.510(1) Å, V = 7285.0 Å3, Z = 4, Rgt(F) = 0.052, wRref(F2) = 0.149, T = 153 K. C81H74DyN17O2, orthorhombic, Pna21 (no. 33), a = 25.216(2) Å, b = 25.039(2) Å, c = 11.4858(7) Å, V = 7252.0 Å3, Z = 4, Rgt(F) = 0.052, wRref(F2) = 0.090, T = 153 K.
Crystal structure of 6-(carboxymethyl)-2,3,4-trimethoxybenzoic acid, C12H14O7
Authors: Khan G. S. , Rama N. H. , Noor A. , Qadeer G. 
Published: September 2014

Abstract C12H14O7, orthorhombic, Pbca (no. 61), a = 17.62(1) Å, b = 7.040(4) Å, c = 20.51(1) Å, V = 2544.2 Å3, Z = 8, Rgt(F) = 0.041, wRref(F2) = 0.099, T = 293 K.
Crystal structure of potassium rubidium bis(L-malate) L-malic acid, K(K0.67Rb0.33)(C4H5O5)2 · C4H6O5
Authors: Rodrigues V. H. , Costa M. M. R. , Matos Gomes E. , Criado A. 
Published: September 2014

Abstract C12H16K1.67O15Rb0.33, orthorhombic, P212121 (no. 19), a = 7.721(1) Å, b = 7.895(2) Å, c = 29.914(3) Å, V = 1823.6Å3, Z = 4, Rgt(F) = 0.061, wRref(F2) = 0.147, T = 293 K.
Crystal structure of bis(acetylacetonato)bis(quinoline)nickel(II), Ni(C5H14O2N)2(C9H7N)2
Authors: Zukerman-Schpector J. , Caracelli I. , Trindade A. C. , Cussigh O. , Dunstan P. O. 
Published: September 2014

AbstractC28H28N2NiO4, triclinic, P1̅ (no. 2), a = 7.9202(6) Å, b = 8.0496(6) Å, c = 10.246(1) Å, α = 97.15(1)°, β = 106.68(1)°, ϒ = 94.686(9)°, V = 616.1 Å3, Z = 1, Rgt(F) = 0.028, wRref(F2) = 0.078, T = 293 K.
Crystal structure of N-phenyl-3-[2-(4'-chlorophenylthio)propanoyl]-2- azetidinone, C18H16ClNO2S
Authors: Zukerman-Schpector J. , Domingues N. L. C. , Olivato P. R. , Mondino M. G. , Reis A. K. C. A. , Rittner R. , Lima F. S. 
Published: September 2014

AbstractC18H16ClNO2S, monoclinic, P121/c1 (no. 14), a = 10.211(1) Å, b = 6.5258(9) Å, c = 24.334(3) Å, β = 90.279(9)°, V = 1621.5 Å3, Z = 4, Rgt(F) = 0.044, wRref(F2) = 0.112, T = 293 K.
Crystal structure of ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]- 2-ethoxybenzimidazole-7-carboxylate, C26H23N3O3
Authors: Li T.-H. , Mao X.-B. , Song Q.-B. 
Published: September 2014

AbstractC26H23N3O3, monoclinic, P121/n1 (no. 14), a = 11.480(1) Å, b = 8.377(1) Å, c = 22.824(3) Å, β = 90.299(3)°, V = 2195.0 Å3, Z = 4, Rgt(F) = 0.051, wRref(F2) = 0.111, T = 293 K.
Crystal structure of ethyl 3,5-dihydroxybenzoate hemihydrate, C9H10O4 · ½H2O
Authors: Zhang Q.-W. , Wang G.-X. 
Published: September 2014

AbstractC9H11O4.5, monoclinic, P121/c1 (no. 14), a = 7.353(2) Å, b = 14.523(3) Å, c = 17.585(4) Å, β = 93.387(3)°, V = 1874.7 Å3, Z = 8, Rgt(F) = 0.040, wRref(F2) = 0.092, T = 273 K.
Crystal structure of pyridinium tetrahydroxyhexaoxopentaborate pyridine hemisolvate, (C5H6N)[B5O6(OH)4] · ½C5H5N
Authors: Zhang W.-J. , Liu Z.-H. 
Published: September 2014

AbstractC7.5H12.5B5N1.5O10, monoclinic, C12/c1 (no. 15), a = 15.49(1) Å, b = 11.554(7) Å, c = 17.81(1) Å, β = 110.478(9)°, V = 2985.3 Å3, Z = 8, Rgt(F) = 0.055, wRref(F2) = 0.179, T = 298 K.
Crystal structure of 2-nitrobenzene-1,4-dioxyacetic acid dihydrate, C6H3(NO2)(OCH2COOH)2 · 2H2O
Authors: Yu W. , Zhang T.-L. , Yang L. , Zhang J.-G. , Wu R.-F. , Ren F.-J. , Guo J.-Y. , Liu L.-H. 
Published: September 2014

AbstractC10H13NO10, monoclinic, P121/n1 (no. 14), a = 7.351(2) Å, b = 22.077(5) Å, c = 8.129(2) Å, β = 99.907(4)°, V = 1299.5 Å3, Z = 4, Rgt(F) = 0.041, wRref(F2) = 0.106, T = 294 K.
Crystal structure of chloro(acrylato-O,O')bis(1,10-phenanthroline-N,N')- cadmium(II), CdCl(C3H3O2)(C12H8N2)2
Authors: Cai T.-J. , Jiang W.-J. , Peng Z.-S. , Long Y.-F. , Deng Q. 
Published: September 2014

AbstractC27H19CdClN4O2, triclinic, P1̅ (no. 2), a = 9.485(3) Å, b = 10.650(3) Å, c = 13.167(4) Å, α = 80.904(7)°, β = 85.256(7)°, ϒ = 66.161(6)°, V = 1201.0 Å3, Z = 2, Rgt(F) = 0.024, wRref(F2) = 0.060, T = 273 K.
Crystal structure of dicalcium sodium monohydrogen diarsenate hexahydrate, Ca2Na[HAsO4][AsO4] · 6H2O
Authors: Jiménez A. , Rodríguez J. D. , Torre-Fernández L. , Prieto M. , García-Granda S. 
Published: September 2014

Abstract As2Ca2H13NaO14, triclinic, P1̅ (no. 2), a = 6.680(5) Å, b = 8.223(4) Å, c = 12.537(3) Å, α = 73.46(5)°, β = 78.89(4)°, γ = 87.47(5)°, V = 647.7 Å3, Z = 2, Rgt(F) = 0.062, wRref(F2) = 0.197, T = 293 K.
Crystal structure of ytterbium triiodate dihydrate, Yb[IO3]3 · 2H2O
Authors: Phanon D. , Gautier-Luneau I. 
Published: September 2014

Abstract H4I3O11Yb, triclinic, P1̅ (no. 2), a = 7.268(1) Å, b = 7.441(1) Å, c = 9.319(1) Å, α = 79.54(1)°, β = 85.18(1)°, γ = 71.90(1)°, V = 470.9 Å3, Z = 2, Rgt(F) = 0.028, wRref(F2) = 0.070, T = 293 K.
Crystal structure of indium triiodate dihydrate, In[IO3]3 · 2H2O
Authors: Phanon D. , Gautier-Luneau I. 
Published: September 2014

Abstract H4I3InO11, orthorhombic, P212121 (no. 19), a = 5.038(2) Å, b = 12.154(2) Å, c = 16.041(3) Å, V = 982.2 Å3, Z = 4, Rgt(F) = 0.022, wRref(F2) = 0.042, T = 293 K.
Crystal structure of tetraytterbium septarhodium hexaantimony, Yb4Rh7Sb6
Authors: Leithe-Jasper A. , Cardoso-Gil R. , Ramlau R. , Burkhardt U. 
Published: September 2014

Abstract Rh7Sb6Yb4, Im3̅m (no. 229), a = 8.6524(2) Å, V = 647.8 Å3, Z = 2, Rgt(F) = 0.011, wRref(F2) = 0.019, T = 293 K.
Crystal structure of yttrium nickel phosphide, Y20Ni42P30.34
Authors: Stoyko S. , Oryshchyn S. , Babizhetskyy V. , Guérin R. 
Published: September 2014

Abstract Ni42P30.34Y20, hexagonal, P63/m (no. 176), a = 20.270(1) Å, c = 3.8030(2) Å, V = 1353.2 Å3, Z = 1, Rgt(F) = 0.053, wRref(F2) = 0.122, T = 293 K.
Crystal structure of diaquadidysprosium triglutarate tetrahydrate, Dy2(H2O)2[O2C(CH2)3CO2]3 · 4H2O
Authors: Wei D.-Y. , Huang S.-J. , Sun J. , Zheng Y.-Q. 
Published: September 2014

Abstract C15H26Dy2O18, monoclinic, C12/c1 (no. 15), a = 7.918(2) Å, b = 14.912(3) Å, c = 19.617(4) Å, β = 94.66(3)°, V = 2308.6 Å3, Z = 4, Rgt(F) = 0.027, wRref(F2) = 0.066, T = 293 K.
Crystal structure of aqua-bis(acrylato-O,O′)(1,10-phenanthroline- N,N′)zinc(II) hydrate, Zn(C3H3O2)2(H2O)(C12H10N2) · H2O
Authors: Deng Q. , Jiang W.-J. , Peng Z.-S. , Long Y.-F. , Cai T.-J. 
Published: September 2014

Abstract C18H18N2O6Zn, triclinic, P1̅ (no. 2), a = 9.2816(7) Å, b = 10.5205(8) Å, c = 11.0378(7) Å, α = 103.144(4)°, β = 99.428(4)°, γ = 111.743(3)°, V = 937.6 Å3, Z = 2, Rgt(F) = 0.029, wRref(F2) = 0.080, T = 293 K.
Crystal structure of (hydrido)(η3-butenyl)bis(η5-pentamethylcyclopentadienyl) zirconium, Zr(C4H7)[C5(CH3)5]2(H)
Authors: Ernst R. D. , Harvey B. G. , Arif A. M. 
Published: September 2014

Abstract C24H38Zr, triclinic, P1̅ (no. 2), a = 8.6524(3) Å, b = 9.3669(2) Å, c = 14.2269(5) Å, α = 81.977(2)°, β = 88.117(2)°, γ = 72.557(2)°, V = 1089.2 Å3, Z = 2, Rgt(F) = 0.034, wRref(F2) = 0.079, T = 150 K.
Crystal structure of (η5-2,4-dimethylpentadienyl)[η2-rel-(aR)-a-[[(1R,5E)- 5-[(1,1-dimethylethyl)imino]-1,3-dimethyl-2-cyclopenten-1-yl]methyl]-N- (1-methylethyl)benzenemethanaminato-κN][2-(isocyano-κC)-2- methylpropane]zirconium, Zr(C7H11)(C22H33N2)(C4H9NC)
Authors: Ernst R. D. , Kulsomphob V. , Arif A. M. 
Published: September 2014

Abstract C34H53N3Zr, triclinic, P1̅ (no. 2), a = 10.752(4) Å, b = 12.245(3) Å, c = 12.720(5) Å, α = 82.60(2)°, β = 82.88(3)°, γ = 86.66(2)°, V = 1646.4 Å3, Z = 2, Rgt(F) = 0.060, wRref(F2) = 0.077, T = 173 K.
Crystal structure of dichlorobis[N-(2,6-diisopropylphenyl)- benzimidimidazolide]palladium(II), PdCl2(C22H25N3)2
Authors: Steiner G. , Wurst K. , Bildstein B. , Kopacka H. 
Published: September 2014

Abstract C44H50Cl2N6Pd, monoclinic, P121/c1 (no. 14), a = 8.9983(2) Å, b = 12.9387(3) Å, c = 18.6706(4) Å, β = 101.365(2)°, V = 2131.1 Å3, Z = 2, Rgt(F) = 0.027, wRref(F2) = 0.072, T = 233 K.
Crystal structure of dichloro-(3-cyclopentadienyl-3-methyl-1-phenylbutyliden- 2,6-dimethylphenylamino)chromium(III), CrCl2(C24H26N)
Authors: Steiner G. , Wurst K. , Bildstein B. , Kopacka H. 
Published: September 2014

Abstract C24H26Cl2CrN, monoclinic, P121/c1 (no. 14), a = 11.5168(5) Å, b = 13.9721(6) Å, c = 14.1146(4) Å, β = 104.628(2)°, V = 2197.6 Å3, Z = 4, Rgt(F) = 0.039, wRref(F2) = 0.095, T = 233 K.
Crystal structure of diiodo-bis[(4R,5R)-trans-4,5-bis[(diphenylphosphinomethyl)- 2,2-dimethyl-1,3-dioxalane]dicopper(I), Cu2I2(C31H32O2P2)2
Authors: Deng Y.-H. , Yang Y.-L. , Yang X.-J. 
Published: September 2014

Abstract C62H64Cu2I2O4P4, triclinic, P1̅ (no. 1), a = 10.0989(2) Å, b = 12.8084(1) Å, c = 12.8423(2) Å, α = 65.074(1)°, β = 84.31°, γ = 87.854(1)°, V = 1499.0 Å3, Z = 1, Rgt(F) = 0.036, wRref(F2) = 0.098, T = 293 K.
Crystal structure of 8-bromo-6-chloro-1′,3′,3′-trimethylspiro[2H-1-benzopyran-2,2′-indoline], C19H17BrClNO
Authors: Wang A.-Q. , Wu Y. , Guo H. 
Published: September 2014

Abstract C19H17BrClNO, tetragonal, P43 (no. 78), a = 8.1499(8) Å, c = 26.863(5) Å, V = 1784.3 Å3, Z = 4, Rgt(F) = 0.061, wRref(F2) = 0.202, T = 294 K.
Crystal structure of bis(cyclopropyl-4-bromosalicylaldiminato)cobalt(II), Co(C20H18BrNO)2
Authors: Wei Y.-J. , Wang F.-W. 
Published: September 2014

Abstract C20H18Br2CoN2O2, orthorhombic, Pbca (no. 61), a = 13.295(2) Å, b = 13.113(2) Å, c = 23.252(3) Å, V = 4053.7 Å3, Z = 8, Rgt(F) = 0.051, wRref(F2) = 0.151, T = 298 K.
Crystal structure of 5,11,17,23-tetrabromo-25,27-dihydroxy- 26,28-dimethoxycalix[4]arene, C30H24Br4O4
Authors: Luo Y.-H. , Hu X.-J. , Liu J.-K. , Zhang H. , Li Y. , Yang H.-J. , Wang R.-J. 
Published: September 2014

Abstract C30H24Br4O4, monoclinic, P121/c1 (no. 14), a = 9.810(1) Å, b = 27.121(6) Å, c = 11.410(3) Å, β = 110.31(1)°, V = 2846.9 Å3, Z = 4, Rgt(F) = 0.068, wRref(F2) = 0.126, T = 295 K.
Crystal structure of 5,17-bis(N-tert-butylhydroxyamine)-25,26,27,28- tetrapropoxycalix[4]arene, C48H66N2O6
Authors: Hu X.-J. , Yang H.-J. , Liu J.-K. , Zhang H. , Li Y. , Luo Y.-H. , Wang R.-J. 
Published: September 2014

Abstract C48H66N2O6, monoclinic, P121/c1 (no. 14), a = 14.636(2) Å, b = 16.807(2) Å, c = 19.131(2) Å, β = 102.981(1)°, V = 4585.8 Å3, Z = 4, Rgt(F) = 0.070, wRref(F2) = 0.160, T = 295 K.
Refinement of the crystal structure of catena-[(1,10-phenanthroline-N,N′)- (μ3-molybdato(VI))copper(II)] monohydrate, Cu(C12H10N2)(MoO4) · H2O
Authors: Peng Z.-S. , Jiang W.-J. , Deng Q. , Long Y.-F. , Cai T.-J. 
Published: September 2014

Abstract C12H10CuMoN2O5, monoclinic, P121/n1 (no. 14), a = 14.147(3) Å, b = 5.890(1) Å, c = 16.221(3) Å, β = 103.27(1)°, V = 1315.5 Å3, Z = 4, Rgt(F) = 0.023, wRref(F2) = 0.061, T = 298 K.
Crystal structure of 2-(2-propynyloxy)benzaldehyde, C10H8O2
Authors: Werz D. B. , Balalaie S. , Rominger F. , Oloumi Z. 
Published: September 2014

Abstract C10H8O2, triclinic, P1̅ (no. 2), a = 4.3814(5) Å, b = 10.021(1) Å, c = 10.040(1) Å, α = 67.097(3)°, β = 87.762(3)°, γ = 80.576(4)°, V = 400.4 Å3, Z = 2, Rgt(F) = 0.040, wRref(F2) = 0.089, T = 200 K.
Crystal structure of 2-[6-(2-formylphenoxy)-2,4-hexadiynyloxy]- benzaldehyde, C20H14O4
Authors: Werz D. B. , Balalaie S. , Rominger F. , Oloumi Z. 
Published: September 2014

Abstract C20H14O4, monoclinic, P121/c1 (no. 14), a = 12.5632(6) Å, b = 4.3769(2) Å, c = 14.8059(8) Å, β = 104.213(2)°, V = 789.2 Å3, Z = 2, Rgt(F) = 0.053, wRref(F2) = 0.145, T = 200 K.
Crystal structure of (2,2′-bipyridine-N,N′)bis(2-fluorobenzoato)lead(II), Pb(C7H4O2F)2(C10H8N2)
Authors: Zhang B.-S. 
Published: September 2014

Abstract C24H16F2N2O4Pb, triclinic, P1̅ (no. 2), a = 9.494(2) Å, b = 10.231(2) Å, c = 11.996(2) Å, α = 82.84(3)°, β = 85.53(3)°, γ = 70.25(3)°, V = 1087.3 Å3, Z = 2, Rgt(F) = 0.027, wRref(F2) = 0.063, T = 293 K.
Crystal structure of 4-butyl-6-nitro-2H-1,4-benzothiazin-3-one, C12H14N2O3S
Authors: De Simone C. A. , Guarda V. L. M. , Galdino S. L. , Pitta I. R. 
Published: September 2014

Abstract C12H14N2O3S, monoclinic, P121/n1 (no. 14), a = 8.542(2) Å, b = 11.643(1) Å, c = 13.658(2) Å, β = 107.95(1)°, V = 1292.2 Å3, Z = 4, Rgt(F) = 0.035, wRref(F2) = 0.094, T = 293 K.
Crystal structure of aquachloro[N,N′-bis(3-ethoxysalicylidene)ethylenediiminato] manganese(III) dihydrate, [Mn(C20H22N2O4)Cl(H2O)] · 2H2O
Authors: Hwang I.-C. , Ha K. 
Published: September 2014

Abstract C20H28ClMnN2O7, monoclinic, P121/n1 (no. 14), a = 11.863(1) Å, b = 13.960(2) Å, c = 14.005(2) Å, β = 103.990(2)°, V = 2250.4 Å3, Z = 4, Rgt(F) = 0.061, wRref(F2) = 0.170, T = 293 K.
Crystal structure of dicyano(N-(1-iminoethyl)acetamidine)palladium(II), Pd(CN)2(C4H9N3)
Authors: Keller H.-L. , Oldag T. 
Published: September 2014

Abstract C6H9N5Pd, triclinic, P1̅ (no. 2), a = 6.906(1) Å, b = 7.371(2) Å, c = 8.784(2) Å, α = 80.67(3)°, β = 82.27(3)°, γ = 73.30(3)°, V = 420.7 Å3, Z = 2, Rgt(F) = 0.057, wRref(F2) = 0.078, T = 150 K.
Refinement of the crystal structure of aquabis(2,2′-bipyridine)- bis(terephtalato)dicopper(II), Cu2(H2O)(C10H8N2)2(C8H4O4)2
Authors: Wang C.-C. 
Published: September 2014

Abstract C36H26Cu2N4O9, monoclinic, P121/c1 (no. 14), a = 13.732(3) Å, b = 17.188(3) Å, c = 14.127(3) Å, β = 104.57(3)°, V = 3227.1 Å3, Z = 4, Rgt(F) = 0.032, wRref(F2) = 0.089, T = 293 K.
Crystal structure of aquabis(4-aminobenzoato)cadmium dihydrate, Cd(H2O)(NH2C6H4COO)2 · 2H2O
Authors: Cao F.-Q. , Wang Y. , Okabe N. , Odoko M. 
Published: September 2014

Abstract C14H18CdN2O7, monoclinic, P121/c1 (no. 14), a = 14.86(2) Å, b = 6.15(1) Å, c = 17.76(2) Å, β = 104.23(4)°, V = 1572.4 Å3, Z = 4, Rgt(F) = 0.049, wRref(F2) = 0.121, T = 123 K.
Crystal structure of (N-tert-butyl-3,4-diphenyl-1,2-oxazetidin-4-yl)methanol, C19H23NO2
Authors: Florio S. , Capriati V. , Luisi R. , Salomone A. , Cuocci C. 
Published: September 2014

Abstract C19H23NO2, Pbc21 (no. 29), a = 9.481(1) Å, b = 12.073(1) Å, c = 30.079(5) Å, V = 3443.0 Å3, Z = 8, Rgt(F) = 0.077, wRref(F2) = 0.217, T = 293 K.
Crystal structure of tetra(2-aminopyrimidine)dimethanolato-dicobalt(II) diperchlorate, [Co2(CH3O)2(C4H5N3)4][ClO4]2
Authors: Xu S.-P. , Liu C.-H. , Zhu Y. 
Published: September 2014

Abstract C18H26Cl2Co2N12O10, monoclinic, C12/m1 (no. 12), a = 16.466(5) Å, b = 14.969(5) Å, c = 12.003(4) Å, β = 132.40(1)°, V = 2184.8 Å3, Z = 2, Rgt(F) = 0.053, wRref(F2) = 0.188, T = 293 K.
Crystal structure of tetra(2-aminopyrimidine)dimethanolato-dinickel(II) di(tetrafluoroborate), [Ni2(CH3O)2(C4H5N3)4][BF4]2
Authors: Xu S.-P. , Liu C.-H. , Cao P. 
Published: September 2014

Abstract C18H26B2F8N12Ni2O2, monoclinic, C12/m1 (no. 12), a = 16.341(6) Å, b = 14.796(2) Å, c = 12.051(4) Å, β = 132.36(1)°, V = 2153.1 Å3, Z = 2, Rgt(F) = 0.063, wRref(F2) = 0.201, T = 293 K.
Crystal structure of μ-terephthalatobis[bis(1,3-diaminopropane)- manganese(II)] diperchlorate, [Mn2{C3H6(NH2)2}4{C6H4(COO)2}][ClO4]2
Authors: Xu S.-P. , Liu C.-H. , Zhu C.-H. 
Published: September 2014

Abstract C20H44Cl2Mn2N8O12, monoclinic, P121/n1 (no. 14), a = 10.160(3) Å, b = 10.139(4) Å, c = 16.008(3) Å, β = 93.06(1)°, V = 1646.7 Å3, Z = 2, Rgt(F) = 0.069, wRref(F2) = 0.211, T = 293 K.
Crystal structure of dicyclohexyl-2,2′-dipyridylamidophosphane, C22H30N3P
Authors: Maisel H. , Glatz G. , Irrgang T. , Kempe R. 
Published: September 2014

Abstract C22H30N3P, monoclinic, P121/n1 (no. 14), a = 14.0180(8) Å, b = 9.871(1) Å, c = 14.929(1) Å, β = 101.528(7)°, V = 2024.1 Å3, Z = 4, Rgt(F) = 0.055, wRref(F2) = 0.121, T = 191 K.
Crystal structure of bis(1,3-bis[{4-methyl-pyridin-2-yl}amido]-1,1,3,3- tetramethyldisiloxane)dichromium dichloride, [(C16H24N4OSi2)CrCl]2
Authors: Irrgang T. , Spannenberg A. , Kempe R. 
Published: September 2014

Abstract C32H48Cl2Cr2N8O2Si4, monoclinic, P121/n1 (no. 14), a = 12.416(2) Å, b = 13.668(3) Å, c = 13.172(3) Å, β = 113.83(3)°, V = 2044.8 Å3, Z = 2, Rgt(F) = 0.052, wRref(F2) = 0.110, T = 200 K.
Crystal structure of (E)-2-ruthenocenylethenylcobaltocenium hexafluorophosphate, [(C5H5)Ru(C12H10)Co(C5H5)][PF6]
Authors: Laus G. , Strasser C. E. , Wurst K. , Schottenberger H. 
Published: September 2014

Abstract C22H20CoF6PRu, monoclinic, P121/c1 (no. 14), a = 9.9053(2) Å, b = 11.4730(3) Å, c = 18.5156(5) Å, β = 94.940(2)°, V = 2096.4 Å3, Z = 4, Rgt(F) = 0.041, wRref(F2) = 0.094, T = 233 K.
Crystal structure of methylammonium 4′,7-dimethoxyisoflavone- 3′-sulfonate monohydrate, (CH3NH3)(C17H13O4SO3) · H2O
Authors: He Y. , Cheng X.-L. , Chang Y. 
Published: September 2014

Abstract C18H21NO8S, monoclinic, P121/c1 (no. 14), a = 21.069(5) Å, b = 11.494(3)Å, c = 7.996(2)Å, β = 97.257(3)°, V = 1920.9Å3, Z = 4, Rgt(F) = 0.044, wRref(F2) = 0.124, T = 298 K.
Crystal structure of 3S,4′S,6′S-2-benzyl-3-[(tert-butyldimethylsiloxy)-( 2′,2′-dimethyl-1,3-dioxolan-4′-yl)-6′-methyl]-4-[2-(trimethylsilyl) ethoxy]-3.6-dihydro-2H-1,2-oxazine, C28H49NO5Si2
Authors: Al-Harrasi A. , Brüdgam I. , Hartl H. , Reißig H.-U. 
Published: September 2014

Abstract C28H49NO5Si2, monoclinic, P1211 (no. 4), a = 14.325(3) Å, b = 11.850(2) Å, c = 19.459(4) Å, β = 102.978(5)°, V = 3218.8 Å3, Z = 4, Rgt(F) = 0.046, wRref(F2) = 0.103, T = 173 K.
Crystal structure of N,N′-bis(2-methyl-4,5-diphenylimidazo[ 1,5-b]pyridazin-7-yl)-1,3-diaminopropane ethanol solvate, C3H6(NH)2(C19H14N3)2 · C2H5OH
Authors: Irrgang T. , Karthikeyan S. , Balireddi S. , Kempe R. 
Published: September 2014

Abstract C43H42N8O, triclinic, P1̅ (no. 2), a = 9.997(2) Å, b = 12.046(2) Å, c = 15.635(3) Å, α = 90.84(3)°, β = 105.18(3)°, γ = 93.43(3)°, V = 1813.0 Å3, Z = 2, Rgt(F) = 0.071, wRref(F2) = 0.176, T = 193 K.
Crystal structure of N,N′-bis(2-methyl-4-phenyl-5-tert-butylimidazo[ 1,5-b]pyridazin-7-yl)ethylenediamine, C2H4(NH)2(C17H18N3)2
Authors: Irrgang T. , Balireddi S. , Karthikeyan S. , Kempe R. 
Published: September 2014

Abstract C36H42N8, monoclinic, P121/c1 (no. 14), a = 14.004(3) Å, b = 9.164(2) Å, c = 13.468(3) Å, β = 109.30(3)°, V = 1631.3 Å3, Z = 2, Rgt(F) = 0.060, wRref(F2) = 0.158, T = 193 K.
Crystal structure of 25,27-dibenzyloxy-26-benzoyloxy-28-hydroxycalix[ 4]arene, C49H40O5
Authors: Kuhn P. , Matt D. , Toupet L. , Louati A. 
Published: September 2014

Abstract C49H40O5, triclinic, P1̅ (no. 2), a = 10.8865(2) Å, b = 18.2743(3) Å, c = 18.3545(3) Å, α = 85.166(1)°, β = 86.233(1)°, γ = 84.268(1)°, V = 3614.3 Å3, Z = 4, Rgt(F) = 0.054, wRref(F2) = 0.148, T = 120 K.
Crystal structure of 2(R)-(5-fluorouracil-1-yl)acetyl-2-phenylglycin dimethylformamide solvate, C14H12FN3O5 · C3H7NO
Authors: Hu M.-L. , Yin P. , Xiong J. , Yuan J.-X. 
Published: September 2014

Abstract C17H19FN4O6, monoclinic, P121/c1 (no. 14), a = 5.2042(5) Å, b = 21.778(2) Å, c = 16.932(2) Å, β = 101.165(2)°, V = 1882.7 Å3, Z = 4, Rgt(F) = 0.068, wRref(F2) = 0.198, T = 298 K.
Crystal structure of 1-(4-chlorophenyl)-2-(5-methyl-1,3,4-thiadiazol- 2-yl)ethanone, C11H9ClN2OS
Authors: Frey W. , Haug E. , Kantlehner W. 
Published: September 2014

Abstract C11H9ClN2OS, monoclinic, P121/c1 (no. 14), a = 14.102(2) Å, b = 14.595(1) Å, c = 5.5101(5) Å, β = 92.309(9)°, V = 1133.2 Å3, Z = 4, Rgt(F) = 0.085, wRref(F2) = 0.247, T = 293 K.
Crystal structure of methanol[N,N′-o-phenylenebis(salicylaldiminato- N,N′,O,O′)](salicylaldehydato-O)manganese(III), Mn(CH3OH)(C6H4OCHO)[C6H4(C6H4OCHN)2]2
Authors: Wang C. , Hou Y.-Q. , Li J. , Zhang F.-X. 
Published: September 2014

Abstract C28H23MnN2O5, monoclinic, P121/c1 (no. 14), a = 10.321(1) Å, b = 13.503(2) Å, c = 17.390(2) Å, β = 93.950(2)°, V = 2417.7 Å3, Z = 4, Rgt(F) = 0.038, wRref(F2) = 0.103, T = 295 K.
Crystal structure of N-(diphenyl)methyl-3(S)-[1′(R)-hydroxoethyl]- 4(S)-[2″,2″-dimethyl-1″-oxopropyl]-2-azetidinone, C23H27NO3
Authors: Tinant B. , Laurent M. , Marchand-Brynaert J. 
Published: September 2014

Abstract C23H27NO3, orthorhombic, P212121 (no. 19), a = 6.054(2) Å, b = 11.479(5) Å, c = 29.210(3) Å, V = 2029.9 Å3, Z = 4, Rgt(F) = 0.047, wRref(F2) = 0.121, T = 125 K.
Crystal structure of μ-dichlorobis(N-benzyl-bis(2-pyridylmethyl) amino)dicopper(II) diperchlorate ethanol solvate (1:⅔), [Cu2Cl2{N(C6H6N)2(C7H7)}2][ClO4]2 · ⅔ C2H5OH
Authors: Kaizer J. , Góger S. , Speier G. , Réglier M. , Giorgi M. 
Published: September 2014

Abstract C39.33H42Cl4Cu2N6O8.67, trigonal, R3̅ (no. 148), a = 27.819(4) Å, c = 14.447(6) Å, V = 9682.8 Å3, Z = 9, Rgt(F) = 0.040, wRref(F2) = 0.109, T = 293 K.
Crystal structure of 5-fluoro-1-benzyluracil, (C6H5)CH2(C4N2H2FO2)
Authors: Ding J.-C. , Liu M.-C. , Zhang L.-J. , Wu H.-Y. 
Published: September 2014

Abstract C11H9FN2O2, triclinic, P1̅ (no. 2), a = 5.9762(9) Å, b = 8.508(1) Å, c = 10.316(2) Å, α = 106.634(3)°, β = 93.496(3)°, γ = 96.417(3)°, V = 497.0 Å3, Z = 2, Rgt(F) = 0.046, wRref(F2) = 0.102, T = 298 K.
Crystal structure of bis(2-hydroxy-2,2-bis(pyridin-2-yl)acetato)nickel(II) methanol solvate, Ni[(C5H4N)2C(OH)COO]2 · CH3OH
Authors: Tang L. , Li J. , Li D.-S. , Zhou C.-H. , Wang J.-J. , Wang J.-W. 
Published: September 2014

Abstract C25H22N4NiO7, triclinic, P1̅ (no. 2), a = 8.462(2) Å, b = 8.514(2) Å, c = 10.467(2) Å, α = 79.823(4)°, β = 74.813(4)°, γ = 76.791(4)°, V = 703.1 Å3, Z = 1, Rgt(F) = 0.045, wRref(F2) = 0.144, T = 296 K.
Crystal structure of cis-bis[2-(diphenylphosphinoaminato)- 4-methylpyridine]platinum(II), Pt(C18H16N2P)2
Authors: Schmalz T. , Karthikeyan S. , Irrgang T. , Kempe R. 
Published: September 2014

Abstract C36H32N4P2Pt, monoclinic, C12/c1 (no. 15), a = 22.183(1) Å, b = 10.4130(6) Å, c = 15.2670(9) Å, β = 118.038(5)°, V = 3112.7 Å3, Z = 4, Rgt(F) = 0.024, wRref(F2) = 0.069, T = 193 K.
SET8 methyltransferase activity during the DNA double‐strand break response is required for recruitment of 53BP1
Authors: Dulev Stanimir , Tkach Johnny , Lin Sichun , Batada Nizar N 
Published: September 2014

AbstractDNA double‐strand breaks (DSBs) activate a signaling pathway known as the DNA damage response (DDR) which via protein–protein interactions and post‐translational modifications recruit signaling proteins, such as 53BP1, to chromatin flanking the lesion. Depletion of the SET8 methyltransferase prevents accumulation of 53BP1 at DSBs; however, this phenotype has been attributed to the role of SET8 in generating H4K20 methylation across the genome, which is required for 53BP1 binding to chromatin, prior to DNA damage. Here, we report that SET8 acts directly at DSBs during the DNA damage response (DDR). SET8 accumulates at DSBs and is enzymatically active at DSBs. Depletion of SET8 just prior to the induction of DNA damage abrogates 53BP1's accumulation at DSBs, suggesting that SET8 acts during DDR. SET8's occupancy at DSBs is regulated by histone deacetylases (HDACs). Finally, SET8 is functionally required for efficient repair of DSBs specifically via the non‐homologous end‐joining pathway (NHEJ). Our findings reveal that SET8's active role during DDR at DSBs is required for 53BP1's accumulation.