Information card for entry 7020590

Structure parameters

• Formula: C46 H29.5 Co2 N5 O12.25
• Calculated formula: C46 H28 Co2 N5 O12.25
• Title of publication: Synthesis, structure, topology and magnetic properties of cobalt(ii) coordination polymers with 2-nitrobiphenyl-4,4'-dicarboxylic acid and bis(pyridyl) ligands.
• Authors of publication: Jing, Xue-Hui; Yi, Xiu-Chun; Gao, En-Qing; Blatov, Vladislav A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 47
• Pages of publication: 14316 - 14328
• a: 34.568 ± 0.007 Å
• b: 14.343 ± 0.003 Å
• c: 19.344 ± 0.004 Å
• α: 90°
• β: 115.71 ± 0.03°
• γ: 90°
• Cell volume: 8641 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No