Information card for entry 7049427

Structure parameters

• Formula: C20 H21 Co2 N6 O9.5
• Calculated formula: C20 H19 Co2 N6 O9.5
• Title of publication: Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.
• Authors of publication: Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7100 - 7104
• a: 8.097 ± 0.003 Å
• b: 21.414 ± 0.009 Å
• c: 14.114 ± 0.006 Å
• α: 90°
• β: 105.123 ± 0.005°
• γ: 90°
• Cell volume: 2362.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No