Information card for entry 4110303

Structure parameters

• Formula: C22 H16 Co2 N8 O6
• Calculated formula: C22 H16 Co2 N8 O6
• Title of publication: Single Crystal-to-Single Crystal Transformation from Ferromagnetic Discrete Molecules to a Spin-Canting Antiferromagnetic Layer
• Authors of publication: Xiao-Ning Cheng; Wei-Xiong Zhang; Xiao-Ming Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15738 - 15739
• a: 9.722 ± 0.003 Å
• b: 7.723 ± 0.002 Å
• c: 15.01 ± 0.004 Å
• α: 90°
• β: 91.352 ± 0.005°
• γ: 90°
• Cell volume: 1126.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No