Information card for entry 2206892

Structure parameters

• Chemical name: Bis(acetato-κO)tetrakis(1H-pyrazole-κN^1^)nickel(II)
• Formula: C16 H22 N8 Ni O4
• Calculated formula: C16 H22 N8 Ni O4
• SMILES: c1cc[nH][n]1[Ni]([n]1ccc[nH]1)([n]1ccc[nH]1)([n]1ccc[nH]1)(OC(=O)C)OC(=O)C
• Title of publication: Bis(acetato-κ<i>O</i>)tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^1^)nickel(II)
• Authors of publication: Blaz̆ena Papánková; Svoboda, Ingrid; Fuess, Hartmut; S̆intálová, Katka
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2036 - m2038
• a: 9.925 ± 0.005 Å
• b: 14.92 ± 0.007 Å
• c: 13.969 ± 0.007 Å
• α: 90°
• β: 98.97 ± 0.05°
• γ: 90°
• Cell volume: 2043.2 ± 1.8 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No