Information card for entry 4500656

Structure parameters

• Formula: C20 H20 Co2 N6 O13
• Calculated formula: C20 H20 Co2 N6 O13
• Title of publication: pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid
• Authors of publication: Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1901
• a: 20.555 ± 0.003 Å
• b: 7.4526 ± 0.001 Å
• c: 17.229 ± 0.003 Å
• α: 90°
• β: 123.504 ± 0.005°
• γ: 90°
• Cell volume: 2200.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No