Information card for entry 2203345

Structure parameters

• Common name: Dinitratoaquabis(3-pyrazolidinone, 1,5-dimethyl-2-phenyl-4-[{(E)-4-pyridinylmethylidene}amino])nickel(II)
• Chemical name: Aquabis(1,5-dimethyl-2-phenyl-4-{[(E)-4-pyridylmethylene- κN]amino}pyrazolidin-3-one)dinitratonickel(II)
• Formula: C34 H34 N10 Ni O9
• Calculated formula: C34 H34 N10 Ni O9
• SMILES: [Ni]1(ON(=[O]1)=O)(ON(=O)=O)([OH2])([n]1ccc(cc1)\C=N/C1C(=O)N(N(C=1C)C)c1ccccc1)[n]1ccc(cc1)/C=N\C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: Aquabis(1,5-dimethyl-2-phenyl-4-{[(<i>E</i>)-4-pyridylmethylene-κ<i>N</i>]amino}pyrazolidin-3-one)dinitratonickel(II)
• Authors of publication: Hong Liang; Xian-Wen Wang; Zhen-Feng Chen; Ling Huang; Hong-Li Zou; Jian Zhou; Kai-Bei Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m294 - m296
• a: 10.097 ± 0.002 Å
• b: 12.977 ± 0.002 Å
• c: 14.86 ± 0.002 Å
• α: 88.86 ± 0.01°
• β: 75.41 ± 0.01°
• γ: 73.86 ± 0.01°
• Cell volume: 1807.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes