Information card for entry 8105422

Structure parameters

• Formula: C28 H22 N8 Ni O6
• Calculated formula: C28 H22 N8 Ni O6
• Title of publication: Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2 N:O)nickel(II)], C28H22O6N8Ni
• Authors of publication: Xu, Xue-Li; Li, Shi-Hui; Guo, Jin-Bo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1207 - 1208
• a: 27.01 ± 0.0011 Å
• b: 7.4753 ± 0.0005 Å
• c: 15.4781 ± 0.0006 Å
• α: 90°
• β: 118.821 ± 0.003°
• γ: 90°
• Cell volume: 2738 ± 0.3 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: 0.0453
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No