Information card for entry 4310349

Structure parameters

• Formula: C58 H52 Cl6 Cu3 N6 O17 S4
• Calculated formula: C58 H52 Cl6 Cu3 N6 O17 S4
• Title of publication: Module-Based Assembly of Copper(II) Chloranilate Compounds: Syntheses, Crystal Structures, and Magnetic Properties of {[Cu2(CA)(terpy)2][Cu(CA)2]}n and {[Cu2(CA)(terpy)2(dmso)2][Cu(CA)2(dmso)2](EtOH)}n (H2CA = Chloranilic Acid, terpy = 2,2':6',2''-Terpyridine, dmso = Dimethyl Sulfoxide)
• Authors of publication: Mitsuhiro Kawahara; Md. Khayrul Kabir; Koichi Yamada; Keiichi Adachi; Hitoshi Kumagai; Yasuo Narumi; Koichi Kindo; Susumu Kitagawa; Satoshi Kawata
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 92 - 100
• a: 8.418 ± 0.003 Å
• b: 13.341 ± 0.005 Å
• c: 15.286 ± 0.005 Å
• α: 90.802 ± 0.009°
• β: 99.959 ± 0.012°
• γ: 96.043 ± 0.012°
• Cell volume: 1680.5 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No