Information card for entry 8107015

Structure parameters

• Formula: C26 H20 Br4 N8 Ni O3
• Calculated formula: C26 H20 Br4 N8 Ni O3
• Title of publication: Crystal structure of diaquabis(3-(3,5-dibromophenyl)-5-(pyridin-2-yl)-1,2,4-triazol-4-ido-κ2 N,N′)nickel(II) mono hydrate, C26H20Br4N8NiO3
• Authors of publication: Meng, Jiang Ping; Liu, Xuan Lin; Xu, Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 811 - 813
• a: 13.76 ± 0.004 Å
• b: 14.079 ± 0.004 Å
• c: 16.317 ± 0.005 Å
• α: 90°
• β: 98.604 ± 0.006°
• γ: 90°
• Cell volume: 3125.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2223
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No