Information card for entry 4514276

Structure parameters

• Formula: C89 H64 Co3 N15 O15 S2
• Calculated formula: C89 H70 Co3 N15 O15 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: 21.9628 ± 0.0013 Å
• b: 27.4453 ± 0.0015 Å
• c: 14.1306 ± 0.0008 Å
• α: 90°
• β: 104.658 ± 0.001°
• γ: 90°
• Cell volume: 8240.4 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1452
• 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