Information card for entry 8106044

Structure parameters

• Formula: C68 H54 Co2 N8 O15 S2
• Calculated formula: C68 H54 Co2 N8 O15 S2
• Title of publication: Crystal structure of poly{[μ2-1,1′-(sulfonylbis(4,1-phenylene))bis(2-methyl-1H-imidazole)-κ2 N:N′][μ2-4,4′-oxydibenzoato-κ2 O:O′]cobalt(II)} hemihydrate, C34H27N4O7.5SCo
• Authors of publication: Li, Wei; Sun, Xuan; Suo, Jian; Xing, Yanpeng; Wang, Daguang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 65 - 66
• a: 23.7684 ± 0.0016 Å
• b: 13.5683 ± 0.001 Å
• c: 10.0223 ± 0.0007 Å
• α: 90°
• β: 94.405 ± 0.002°
• γ: 90°
• Cell volume: 3222.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No