bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stereoelectronic Effects in Serine Proteases: Ab Initio Molecular Orbital Calculations
Authors: Taira Kazunari , Gorenstein David G 
Published: July 2006

Abstract
Ab initio molecular orbital calculations have been performed on the reaction profile for the addition/elimination reaction between ammonia and formic acid, proceeding via a tetrahedral intermediate: NH3+HCO2H→H2NCH(OH)2→NH2CHO+H2O. For the addition of ammonia two transition state conformations, of which one possesses a lone pair, on the hydroxyl oxygen of formic acid, antiperiplanar to the attacking nitrogen (T1 conformer) and the other possesses a hydrogen atom, of the OH group, antiperiplanar to the nucleophile ammonia (T1′ conformer), have been identified as characteristic transition state structures. Calculated transition state energies for the first addition step of the reaction revealed that a lone pair on the oxygen of the OH group, which is antiperiplanar to the attacking nitrogen (T1 conformer), stabilized the transition state by 7.4 kcal mol−1 compared to the T1′ conformer. Similarly, for the second water elimination step of the reaction, two conformers (T2 and T2′) have been identified as transition state structures, of which the T2 conformer possesses a lone pair on the nitrogen, antiperiplanar (app) to the leaving water and the T2′ conformer possesses a hydrogen atom, of the NH2 group, app to the leaving water molecule. Again, calculated transition state energies for the T2 and T2′ structures revealed that a lone pair on the nitrogen of the NH2 group, which is app to the scissile C–O bond (T2 conformer), stabilized the transition state by 3.1 kcal mol−1, thus supporting the hypothesis of stereoelectronic control for this reaction. The significance of these stereoelectronic effects for the mechanism of action of serine proteases is discussed and a novel mechanism is proposed.
Transformation of d-Xylose to (1R,2R,3R,4R)-2,3,4-Trihydroxy-1-(hydroxymethyl)cyclopentane, Pseudo-β-d-arabinofuranose
Authors: Tadano Kin-ichi , Kimura Hiroshi , Hoshino Masahide , Ogawa Seiichiro , Suami Tetsuo 
Published: July 2006

Abstract
The known 3-O-benzyl-d-xylose was converted into methyl (4R,5R,6R)-4,6,7-triacetoxy-5-benzyloxy-2-(methoxycarbonyl)heptanoate (8) by employing Knoevenagel condensation of 2,4,5-tri-O-acetyl-3-O-benzyl-aldehydo-d-xylose with dimethyl malonate as a key reaction. O-Deacetylation of 8 and successive glycol cleavage followed by acetylation gave a mixture of (1S,4R,5R,6R)-5-acetoxy-6-benzyloxy-4-methoxycarbonyl-2-oxobicyclo[2.2.1]heptan-3-one and dimethyl (2R,3R,4S)-2,4-diacetoxy-3-benzyloxy-1,1-cyclopentanedicarboxylate (12), which was converted into 12 exclusively. This enantiomerically pure highly oxygenated cyclopentane dicarboxylate 12 was converted into (3S,4S)-3-benzyloxy-1-(t-butyldiphenylsilyloxymethyl)-4-hydroxy-1-cyclopentene (15) by 1) thermal demethoxycarbonylation accompanied by β-elimination of the acetoxyl group, 2) diisobutylaluminium hydride reduction, and 3) selective protection of thus formed 1-cyclopentene-1-methanol. Pyridinium chlorochromate oxidation of 15 followed by reduction with sodium borohydride gave a 6.4:1 mixture of (3S,4R)-3-benzyloxy-1-(t-butyldiphenylsilyloxymethyl)-4-hydroxy-1-cyclopentene (18) and 15. Hydroboration of O-desilyl derivative of 18 proceeded stereoselectively from the less hindered α-face, and (1R,2R,3R,4R)-2,4-diacetoxy-1-acetoxymethyl-3-(benzyloxy)cyclopentane (21) was obtained after acetylation. Deprotection of 21 gave pseudo-β-d-arabinofuranose.
Influence of Hexasulfonated Calix[6]arenes on the Reactivities of Arenediazonium Ions in an Aqueous System
Authors: Shinkai Seiji , Mori Seiichi , Araki Koji , Manabe Osamu 
Published: July 2006

Abstract
The pKa of Phenol Blue shifted from 4.6 to 6.2 because of complexation of protonated Phenol Blue in the cavity of hexasulfonated calix[6]arene with dodecyl substituents (2C12). The finding stimulated us to examine whether the analogs (2C) suppress the dediazoniation of arenediazonium ions in an aqueous system as crown ethers do in organic solvents. We have found that 2C can suppress the dediazoniation in an aqueous system where neither 18-crown-6 nor anionic micelles are effective. The magnitude of the inhibition effect was 4–5 fold. The reaction rate of the diazo coupling with N,N-dimethylaniline was significantly suppressed in the presence of 2C, suggesting that arenediazonium ions are deactivated through complexation with 2C. The novel stabilization effects were explained by the strong anionic reaction field which neither 18-crown-6 nor anionic micelles have: that is, 2C has a peculiar architecture that six sulfonato groups are circularly arranged on the edge of the calixarene cavity.
The Effect of Phosphoric Acid Treatment on the Catalytic Property of Niobic Acid
Authors: Okazaki Susumu , Kurimata Masao , Iizuka Tokio , Tanabe Kozo 
Published: July 2006

Abstract
The effects of the treatment of niobic acid with phosphoric acid, sulfuric acid, and hydrofluoric acid on its surface area, structure, acidic property, and catalytic activity have been studied. The treatment with phosphoric acid was found to be most effective for maintaining a large surface area and a large amount of strong acid sites and for preventing niobic acid from crystallizing even after the heat treatment at higher temperatures above 600 °C. The XPS study revealed that a large amount of phosphorous exists on niobic acid after high temperature heat treatment. In accordance with these results, niobic acid treated with phosphoric acid and heat-treated at higher temperatures exhibited high catalytic activities for methanol conversion and ethylene hydration, whereas the activities of niobic acid containing no phophoric acid were very low when heat-treated at high temperatures.
Oxidation of (CD3)2\dotCX Radicals. I. Reaction of Propane and Isopropyl Radicals with Atomic Oxygen
Authors: Washida Nobuaki 
Published: July 2006

Abstract
The reaction of oxygen atoms with propane-1,1,1,3,3,3-d6, (CD3)2CH2, in a fast-flow system was studied with a photoionization mass spectrometer. Isopropyl-d6 radicals, (CD3)2\dotCH, formed by the initial hydrogen abstraction at the 2-position were detected directly.
(CD3)2CH2+O(3P)→(CD3)2CH+OH (3)
The subsequent reaction of (CD3)2\dotCH radicals with atomic oxygen proceeds by both an deuterium abstraction (61%) and an oxygen addition reaction (39%). The product in the deuterium abstraction was CD2CHCD3 and those in the oxygen addition were (CD3)2CO (18%) and CD3CHO (21%).
(Remark: Graphics omitted.)
Competition experiments show that (CD3)2\dotCH radicals react (0.029±0.004) times as fast with O2 as with O(3P). In the presence of an excess of O2, CD2CHCD3 was observed in decreased yield (20%) and (CD3)2CO and CD3CHO increased to 32 and 44%, respectively. The rate data for Reaction 3 were fitted by an Arrhenius expression:
k 3=(2.0−0.7+1.0)×10−10exp[−(6086±392 cal mol−1)⁄RT]
cm3 molecule−1 s−1 (381–627 K). The rate constant of Reaction 3 obtained from the yields of products was 7.9×10−15 cm3 molecule−1 s−1 at 298K.
Heat Capacity and Thermodynamic Properties of Bismuth in the Range 333 to 923 K
Authors: Badawi Walid Ahmad , Brown-Acquaye H A , Eid Ali Esa 
Published: July 2006

Abstract
Calorimetric studies on the behavior of the heat capacity of bismuth have been carried out in the range 333 to 923 K. Values of the enthalpy and entropy have been determined for selected temperatures. The enthalpy and entropy of fusion at 544.54 K are 11.360±0.014 kJ mol−1 and 20.86±0.03 JK−1 mol−1, respectively. Appropriate polynomial temperature functions of the Cp for solid and liquid bismuth are given. Earlier reported increasing Cp at temperatures above 800 K proved not to be reliable. The heat capacity at constant volume decreased from 25.80 to 21.14 JK−1 mol−1 over the region 544.54 to 873 K. Due to beginning of higher-order transformation, the Cv of solid bismuth showed an excess over the harmonic value (3R).
Behavior of the Enthalpy of Formation in the Tin–Antimony System
Authors: Badawi Walid Ahmad , Eid Ali Esa 
Published: July 2006

Abstract
Calorimetric studies on the behavior of the enthalpy of formation in the tin–antimony system have been carried out at five different compositions (43.3–55 at -% Sb). The enthalpy of dissolution has been determined at 796.15 and 768.15 K. The enthalpy of formation is negative and takes a maximum value (2.906±0.002 kJ mol−1) at 298.15 K for 50 at-% Sb. The molar enthalpy of mixing is more positive than that of formation. On comparing with partial molar enthalpy of mixing, the partial molar enthalpy of formation of tin is shifted to more negative values, while that of antimony to more positive values.
Aryliminodimagnesium Reagents. XII. The Distribution of Products in the Condensation with Nitrobenzothiazoles. Reduction of Electron-Donating Ability of Reagent by the Interaction with Thiazolyl Group
Authors: Okubo Masao , Asao Keiko , Hyakutake Hiroyuki 
Published: July 2006

Abstract
The 4-, 5-, 6-, and 7-nitro derivatives of benzothiazole condense with ArN(MgBr)2 giving unsym-azoxy and -azo products. The product distribution indicated the mild nature of the reaction, and could be explained in terms of a reduced electron-donating ability of the reagent due to an interaction with thiazolyl group.
Effects of CH3···O Hydrogen Bond on the Rotamer Populations in 9-(Alkoxymethyl)-1,4-dimethyltriptycenes
Authors: Tamura Yoshio , Yamamoto Gaku , Oki Michinori 
Published: July 2006

Abstract
Rotamer populations in 9-(alkoxymethyl)-1,4-dimethyltriptycenes, where the alkyl is an ethyl, a methyl, or a 2,2,2-trifluoroethyl, were examined by 1H NMR spectra. The populations of the sc isomer decreased as the alkyl group becomes electronegative. The population ratio, sc/ap, of the methyl compound was almost the same with that for 1,4-dimethyl-9-(phenoxymethyl)triptycene to indicate that the populations of the rotamers in this and related series of compounds are determined on a delicate balance of various factors such as van der Waals repulsive and charge-transfer attractive interactions.
(E)-2-Tridecyl-2-heptadecenal, an Unusual Metabolite from the Red Alga Laurencia Species
Authors: Suzuki Minoru , Kurosawa Etsuro , Kurata Kazuya 
Published: July 2006

Abstract
The structure of an unusual α,β-unsaturated aldehyde isolated from the red algae Laurencia undulata and L. papillosa was established as (E)-2-tridecyl-2-heptadecenal by synthetic method.
Autoxidation of Indolo[3,2,1-de][1,5]naphthyridines
Authors: Irikawa Hajime , Okumura Yasuaki 
Published: July 2006

Abstract
The yellow keto lactam and the blue dimeric pigment were formed by the autoxidation of indolo[3,2,1-de][1,5]naphthyridines.
Measurement of Concentration Profile of Dye at Glass-Solution Interface by Photoacoustic Spectrometry Coupled with Total Internal Reflection Technique
Authors: Hinoue Teruo , Kawabe Masaaki , Yokoyama Yu 
Published: July 2006

Abstract
Photoacoustic signals were measured as a function of a penetration depth by changing an angle of incidence of an excitation beam. Concentration profiles were obtained from a relationship between the signal magnitude and the penetration depth by an inverse Laplace transformation. The smallest value of the penetration depth used was 34 nm.
Synthetic Polyether Dicarboxylic Acids Exhibiting Lithium Ion-Selective Transport
Authors: Hiratani Kazuhisa , Taguchi Kazuhiro 
Published: July 2006

Abstract
Polyether dicarboxylic acid carriers with several alternate units of oxytrimethylene and oxy-o-phenylene groups have been synthesized. They exhibit lithium ion selectivity in the competitive cation transport among lithium, sodium, and potassium ions through liquid membranes. On the basis of the cation extraction and the spectroscopic behavior, it is proposed that these carriers form a coiled structure into which the lithium ion becomes selectively incorporated to exhibit lithium ion-selective transport.
The Trapping and Release of Injected Hydrogen Isotopes in Vitreous Silica
Authors: Azuma Naoto , Miyazaki Tetsuo , Fueki Kenji , Furukawa Katsutoshi , Aratono Yasuyuki , Ohno Shin-ichi , Saeki Masakatsu , Tachikawa Enzo 
Published: July 2006

Abstract
The behavior in vitreous silica of hydrogen isotopes, which had been introduced by 80-keV D+-ion implantation, thermal D2 doping, or recoil tritium implantation (2.7 MeV), was studied by means of FT-IR spectroscopy, ESR spectroscopy, and radioassay with a liquid scintillation counter. The hydrogen isotopes are trapped by forming hydroxyl bonds (OD, OT). In the D+-ion implantation, OD bonds are formed mainly by the rupture of the ≡Si–O–Si≡ bonds. In the thermal D2 doping, however, OD bonds are formed mainly by the isotope-exchange reaction between the preexisting OH bonds and D2 molecules. When vitreous silica implanted by recoil tritium is heated to about 1150 K, HTO and HT are released. The OD bonds produced by D+ implantation decrease upon annealing at 1150 K. The OD bond-rupture is controlled by the diffusion of hydrogen isotopes trapped as OD(OT) bonds to the surface of vitreous silica. The mechanism of the diffusion of the hydrogen isotopes through vitreous silica was explained in terms of a repetition of the chemical reaction of ≡SiOD(OT)+≡SiOSi≡→≡SiOSi≡+SiOD(OT). The diffusion coefficient (DTHTO)) of tritium according to the above mechanism was obtained as:
D T(HTO)=2.3×10−4exp[−1.7×102(kJ mol−1)⁄RT]cm2s−1
Pressure Dependence of the Reaction of Thiolane with H and D Atom
Authors: Tang Jie , Kamo Tohru , Yamada Muneyoshi , Amano Akira 
Published: July 2006

Abstract
The title reaction was investigated at room temperature and under pressures ranging from 133 to 2660 Pa, using a conventional discharge flow reactor. 1-Butanethiol, butane, and 1-butene were the main products, whose compositions varied according to the pressure. In the reaction with deuterium atom, 1-butene was monodeuterated, while 1-butanethiol and butane were dideuterated. The following mechanism was proposed to account for the product compositions and their pressure dependencies as well as the deuterium labeling of the products.
(CH2)4S+H → CH2(CH2)3SH (1)
CH2(CH2)3SH+H → CH3CH2CH2CH2SH* (2)
CH3CH2CH2CH2SH* → CH3CH2CH2CH2SH (3)
→ CH3CH2CHCH2+H2S (4)
→ CH3CH2CH2CH2+HS (5)
CH3CH2CH2CH2+H → CH3CH2CHCH2+H2 (6)
→ CH3CH2CH2CH3 (7)
The Molecular Structure of Thioxanthone as Studied by Gas Phase Electron Diffraction
Authors: Iijima Kinya , Oonishi Isao , Fujisawa Shoji , Shibata Shuzo 
Published: July 2006

Abstract
The molecular structure of thioxanthone has been determined from gas electron-diffraction data. The molecular parameter values and their uncertainties are rg(C–C)=1.401±0.001 Å, rg(C–H)=1.099±0.007 Å, rg(C–S)=1.751±0.002 Å, rg(C–Cc)=1.498±0.004 Å, rg(Cc–O)=1.232±0.006 Å, ∠CSC=103.4±0.3°, ∠CCcC=119.4±0.6°, and θ(dihedral angle)=169.0±1.6°, where the angle parameters are rα parameters. The dihedral angle of thioxanthone is much larger than those of related molecules.
A Kinetic Study of Pressure Effect upon an Outer Sphere Electron-Transfer Reaction Involving Free Radicals
Authors: Ebihara Masahiro , Sasaki Yoichi , Tero-Kubota Shozo , Saito Kazuo 
Published: July 2006

Abstract
Volume of activation for the redox reaction between [(en)2CoIII(μ-NH2,O2(−))CoIII(en)2]4+ (en, ethylenediamine) and 2,2,6,6-tatramethyl-1-piperidinyloxyl radical is zero. The result endorses our previous discussion that the changes in solvation and in intrinsic volume of reactants are respectively responsible for determining the precursor and transition state.
Crystal Structures of the Configurationally Isomeric Dimers of 4(e)-Bromo-8-oxa-6-azabicyclo[3.2.1]octan-7-one
Authors: Yamane Takashi , Honda Mitsuharu , Ashida Tamaichi , Hashimoto Kazuhiko , Sumitomo Hiroshi 
Published: July 2006

Abstract
The crystal structures of the major(Major) and minor(Minor) components of the dimer obtained from the anionic reaction of the racemates of 4(e)-bromo-8-oxa-6-azabicyclo[3.2.1]octan-7-one (Br-BOL) have been determined by X-ray method. Crystal data are: (Major) P21/c, a=10.852(3), b=5.207(3), c=22.146(5) Å, β=92.75(2)°, Z=4, R=0.083 for 1744 reflections; (Minor) P21/c, a=16.825(5), b=7.844(3), c=11.483(3) Å, β=121.40(2)°, Z=4, R=0.038 for 2026 reflections. The structure of each dimer is constructed of an original Br-BOL skeleton at a terminus and an rearranged bicyclic skeleton at another terminus. The configuration of the chiral C atom contained in the rearranged skeleton of Major is different from that of Minor, when the chirarity of a terminal Br-BOL skeleton in Major is coincided with that in Minor.
Molecular Structure of (+)550CD·(+)370CD(2-Aminoethanesulfenato)bis(1,3-propanediamine)cobalt(III) Perchlorate
Authors: Okamoto Ken-ichi , Konno Takumi , Einaga Hisahiko , Hidaka Jinsai 
Published: July 2006

Abstract
The molecular structure of the title complex, (+)550CD·(+)370CD-[Co(aese)(tn)2](ClO4)2, has been determined by the X-ray analysis. This isomer having the Λ configuration takes S configuration for the sulfur donor atom and one of the two 1,3-propanediamine chelate rings takes a chair form and the other an asymmetric skew-boat one.
The Formation of β-LiFe5O8 from Aqueous Suspensions and Its Properties
Authors: Kiyama Masao , Kurata Tokihiro , Takada Toshio 
Published: July 2006

Abstract
Alkaline suspensions containing iron(III) hydroxide and excess LiOH were subjected to aging at temperatures between 40 and 90 °C or to autoclaving at 120 °C or above. The resulting products, identified by X-ray analysis as a spinel phase, were further subjected to magnetic examination at 300 K, BET surfacearea measurements, and electron-microscopic observation. The ferromagnetic precipitates of β-LiFe5O8 were formed at lower temperatures and less excess LiOH concentrations than those at which the nonferromagnetic precipitates of α-LiFeO2 were formed. Their saturation magnetization increased near 60 emu g−1 (1 emu g−1=4πρ10−4 T, where ρ=specific gravity) with the increase in their mean particle size, D, their coercive force depending on the D. With a rise in the temperature of the suspension, superparamagnetic particles with vacancies of the Li ion, intermingled with the ferromagnetic cubic particles, slowly grew to ferromagnetic particles and the composition approached LiFe5O8
Catalytic Behavior of Optically Active Amino Alcohol–Borane Complex in the Enantioselective Reduction of Acetophenone Oxime O-Alkyl Ethers
Authors: Itsuno Shinichi , Sakurai Yoshiki , Ito Koichi , Hirao Akira , Nakahama Seiichi 
Published: July 2006

Abstract
In the presence of the optically active amino alcohol–borane complex, an oxime ether was reduced with various hydride reducing agents to give a chiral primary amine of high optical purity. Catalytic use of the chiral complex was also investigated.
Regioselective Addition of Organic Chlorides to Epoxides in the Presence of Quaternary Ammonium Chloride
Authors: Gu Xue-Ping , Ikeda Isao , Okahara Mitsuo 
Published: July 2006

Abstract
By a reaction of epoxides with organic chlorides in the presence of dodecyltrimethylammonium chloride as a catalyst, a series of 2-substituted 1-(chloromethyl)ethyl ethers were synthesized regioselectively in high yields under mild conditions.
Fe3O4-Catalyzed Halogen-Exchange Reactions of Polyhalomethanes
Authors: Nakada Masahiro , Tokumoto Sei-ichi , Hirota Minoru 
Published: July 2006

Abstract
Triiron tetraoxide pretreated by polyhalomethane was shown to catalyze the halgen-exchange reactions of polyhalomethanes CHlBrmCln(l=1 or 2). The exchange proceeds consecutively giving, for example, CHBrCl2, CHBr2Cl, and CHBr3 as the main products from CHCl3. The mechanism of the reaction is discussed briefly.
Mechanism of Photochemical Reaction from Benzyl Chloride to Toluene in Solution
Authors: Takemura Takeshi , Fujita Masahisa 
Published: July 2006

Abstract
The photochemical reaction from benzyl chloride to toluene has been investigated in rigid glasses and fluid solutions. The experimental results indicate that toluene formation from benzyl chloride in 2-methylpentane proceeds via hot benzyl radicals or higher triplet states that are isoenegitic to the vibrationless level of the S1 state of BzCl and proceeds negligibly from stable benzyl radicals.
Mathematical Analysis of Noncatalytic Coal Dissolution Using Tetralin and the Prediction of Coal Conversion, SRC Yield and Aromatidty of SRC
Authors: Tagaya Hideyuki , Sugai Masayuki , Ito Kazuo , Ando Hisako , Chiba Koji 
Published: July 2006

Abstract
Mathematical analyses of noncatalytic coal dissolution using tetralin at 350–460 °C were carried out. Coal conversion, SRC yield and aromaticity of SRC could be predicted fairly well by regression equations using liquefaction conditions as explanation variables. The equation derived from coal conversions in 67 experiments using the C% and volatile matter of 6 coals and liquefaction conditions could predict coal conversions fairly well (R=0.972). The conversions predicted by the proposed equation were also compared with those reported by previous investigators. Although it was suggested that long heating-up period was detrimental to coal conversion, the equation was a good indication of the conversion in solvent extract liquefaction.
Viscosity Behavior of Poly(2-vinylpyridine) of a Low Molecular Weight
Authors: Yoshida Masafumi , Itoh Kikuo , Sakamoto Noriyuki , Arichi Shizuo 
Published: July 2006

Abstract
For the data of the limiting viscosity number of poly(2-vinylpyridine) of a low molecular weight Mw=2.26–0.21×104 in benzene and methanol, the value of the thickness parameter, b, and the energy difference, E, between the gauche and trans state were discussed in terms of the theory of Rossi and Perico. It is possible to use this theory for the viscosity data in the molecular weight range of 0.35–1.30×104. The values of E and b were thus estimated; E depended on the nature of the solvent for this polymer, while b was constant (0.3 nm). The temperature dependence of the calculated limiting viscosity number, dln[η]⁄dT, in benzene and dioxane was discussed, together with the measured values.
Simple Generation of Ester-Stabilized Azomethine Ylides from 2-Amino Esters and Carbonyl Compounds. Stereochemistry of Their Cycloadditions
Authors: Tsuge Otohiko , Kanemasa Shuji , Ohe Masayuki , Yorozu Kiyotaka , Takenaka Shigeori , Ueno Kazunori 
Published: July 2006

Abstract
Condensation of 2-amino esters with carbonyl compounds leads to simple generation of ester-stabilized azomethine ylides which are trapped by olefinic dipolarophiles as cycloadducts. Anti ylides are exclusively involved in the cycloadditions when N-substituted 2-amino esters are employed for the ylide generation, while syn ylides from N-unsubstituted 2-amino esters. Relative stability among all possible ylide isomers has been inspected and the selective involvement of particular ylidic forms has been explained on the ground of 1,5-dipole interaction or hydrogen bonding stabilization. Endo- and exo-selectivity of the cycloadditions is also discussed.
The Structure of μ-Aquabis(μ-trichloroacetato)bis[aquabis(trichloroacetato)erbium(III)] Hydrate, [{Er(CCl3CO2)2(H2O)}2(CCl3CO2)2(H2O)]n·nH2O
Authors: Imai Takashi , Ouchi Akira 
Published: July 2006

Abstract
The structure of the title complex has been determined by the single-crystal X-ray diffraction method. A crystal of Er2C12H8O16Cl18, F. W. 1380.86 is triclinic, with the space group of P\bar1, a=12.787(8), b=15.209(7), c=11.685(7) Å, α=102.24(5), β=114.43(5), γ=70.59(4)°, Z=2 (for the dimer formula), Dx=2.36, Dm=2.34(3) Mg m−3, and μ(MoKα)=5.74 mm−1. All the carboxylate ions act as bidentate bridges, and each pair of the side-by-side metal atoms is bridged by four carboxylate ions, or by two carboxylate ions and one water-oxygen atom, alternately, forming a polymeric chain approximately parallel to the [011] axis. The chains are arrayed in layers parallel to the (100) plane, and the respective layers are separated by the trichloromethyl groups.