Information card for entry 4504210

Structure parameters

• Formula: C21 H12 Co3 N3 O14
• Calculated formula: C21 H9 Co3 N3 O14
• Title of publication: Unprecedented (3,9)-Connected (42.6)3(46.621.89) Net Constructed by Trinuclear Mixed-Valence Cobalt Clusters
• Authors of publication: Zhang, Xian-Ming; Zheng, Yan-Zhen; Li, Cui-Rui; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 980
• a: 17.122 ± 0.003 Å
• b: 17.122 ± 0.003 Å
• c: 12.53 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3181.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No