Information card for entry 4337775

Structure parameters

• Formula: C21.5 H15.5 Br2 Cl2 Co N10.5 O0.5
• Calculated formula: C21.5 H12 Br2 Cl2 Co N10.5 O0.5
• 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: 29.3456 ± 0.0015 Å
• b: 13.0477 ± 0.0007 Å
• c: 14.8443 ± 0.001 Å
• α: 90°
• β: 114.628 ± 0.0015°
• γ: 90°
• Cell volume: 5166.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No