Information card for entry 4514272

Structure parameters

• Formula: C75.5 H53 Co3 N12 O17 S2
• Calculated formula: C75.564 H52.782 Co3 N12 O16.798 S2
• Title of publication: Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.
• Authors of publication: Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 40
• Pages of publication: 35141 - 35149
• a: 12.585 ± 0.003 Å
• b: 17.882 ± 0.004 Å
• c: 18 ± 0.004 Å
• α: 100.378 ± 0.007°
• β: 98.456 ± 0.009°
• γ: 97.805 ± 0.006°
• Cell volume: 3886 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1937
• Residual factor for significantly intense reflections: 0.1601
• Weighted residual factors for significantly intense reflections: 0.3682
• Weighted residual factors for all reflections included in the refinement: 0.3833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No