Information card for entry 8104689

Structure parameters

• Formula: C22 H22 Co N4 O8
• Calculated formula: C22 H22 Co N4 O8
• Title of publication: Crystal structure of poly[diaqua-bis(μ2-3-(pyrimidin-5-yl)benzoato-κ2 N:O)cobalt(II)] dihydrate, [Co(C11H11O2N2)2(H2O)2]
• Authors of publication: Wang, Jing; Luo, Jiahuan; Zhai, Shengxian; Yongsheng, Niu; Tian, Dayong; Zhang, Chuanxiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 717 - 718
• a: 8.7117 ± 0.0005 Å
• b: 8.7935 ± 0.0005 Å
• c: 15.0791 ± 0.0009 Å
• α: 90°
• β: 103.557 ± 0.001°
• γ: 90°
• Cell volume: 1122.97 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0329
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No