Information card for entry 1513025

Structure parameters

• Formula: C54 H92 Co8 N12 O45
• Calculated formula: C54 H92 Co8 N12 O45
• Title of publication: Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities
• Authors of publication: Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 48 - 59
• a: 13.9081 ± 0.0011 Å
• b: 13.9147 ± 0.0013 Å
• c: 14.0033 ± 0.0017 Å
• α: 113.529 ± 0.002°
• β: 111.7 ± 0.002°
• γ: 102.769 ± 0.001°
• Cell volume: 2081.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No