Information card for entry 2212525

Structure parameters

• Chemical name: [2-Carboxy-4-(4-carboxy-3-carboxylatobenzoyl)benzoato]bis(1,10- phenanthroline)cobalt(II) monohydrate
• Formula: C41 H26 Co N4 O10
• Calculated formula: C41 H26 Co N4 O10
• Title of publication: [2-Carboxy-4-(4-carboxy-3-carboxylatobenzoyl)benzoato]bis(1,10-phenanthroline)cobalt(II) monohydrate
• Authors of publication: Jin-Feng Huang; Jian-Rong Lin; Yu-Jiao Zhong; Zhen Lin; Yu-Mei Dai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m656 - m657
• a: 14.2816 ± 0.0003 Å
• b: 16.8507 ± 0.0004 Å
• c: 15.0142 ± 0.0004 Å
• α: 90°
• β: 101.9 ± 0.01°
• γ: 90°
• Cell volume: 3535.6 ± 0.2 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: 0.068
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes