Information card for entry 8102678

Structure parameters

• Formula: C38 H38 Co N8 O14
• Calculated formula: C38 H38 Co N8 O14
• Title of publication: Crystal structure of diaquabis(3,5-bis(isonicotinamido)benzoato)cobalt(II) tetrahydrate, Co(H2O)2(C19H13N4O4)2 · 4H2O
• Authors of publication: Yi-Fang Deng; Xiong-Wen Tan; Dai-Zhi Kuang; Man-Sheng Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 301
• a: 17.8712 ± 0.0019 Å
• b: 10.6324 ± 0.0011 Å
• c: 21.773 ± 0.002 Å
• α: 90°
• β: 106.031 ± 0.001°
• γ: 90°
• Cell volume: 3976.3 ± 0.7 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: 0.0992
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No