Information card for entry 4337779

Structure parameters

• Formula: C74 H94 Br8 Cl4 Co4 N32 O31
• Calculated formula: C64 H44 Br8 Cl4 Co4 N32 O16
• Title of publication: Toward Higher Nuclearity: Tetranuclear Cobalt(II) Metallogrid Exhibiting Spin Crossover.
• Authors of publication: Wu, Shu-Qi; Wang, Yi-Tong; Cui, Ai-Li; Kou, Hui-Zhong
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2613 - 2618
• a: 22.639 ± 0.003 Å
• b: 22.639 ± 0.003 Å
• c: 12.961 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6643 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.2623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No