Information card for entry 8105447

Structure parameters

• Formula: C24 H28 N10 Ni O6
• Calculated formula: C24 H28 N10 Ni O6
• Title of publication: Crystal structure of tetraaqua-bis(3,5-di(pyridin-4-yl)-1,2,4-triazol-1-ido-κ1 N)nickel(II) dihydrate, C24H28O6N10Ni
• Authors of publication: Xu, Xue-Li; Li, Shi-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1293 - 1294
• a: 7.3274 ± 0.0004 Å
• b: 15.6403 ± 0.0005 Å
• c: 11.8035 ± 0.0006 Å
• α: 90°
• β: 106.966 ± 0.005°
• γ: 90°
• Cell volume: 1293.84 ± 0.11 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: 0.0458
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No