Information card for entry 2211922

Structure parameters

• Chemical name: bis[bis(triazol-1-yl)acetato]nickel(II) monohydrate
• Formula: C12 H12 N12 Ni O5
• Calculated formula: C12 H10 N12 Ni O5
• Title of publication: [Bis(triazol-1-yl)acetato]nickel(II) monohydrate
• Authors of publication: Yun Ling; Hong-Yan Gao; Lei Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m193 - m195
• a: 12.406 ± 0.003 Å
• b: 12.406 ± 0.003 Å
• c: 12.211 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1627.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes