Information card for entry 2200602

Structure parameters

• Chemical name: bis(acetylacetonato)diaquanickel(II) monohydrate
• Formula: C10 H20 Ni O7
• Calculated formula: C10 H20 Ni O7
• SMILES: C1(=[O][Ni]2(OC(=C1)C)([OH2])(OC(=CC(=[O]2)C)C)[OH2])C.O
• Title of publication: Electrochemical synthesis and a redetermination of Ni(acac)~2~(H~2~O)~2~·H~2~O
• Authors of publication: Zhou, Xing-Fu; Han, Ai-Jie; Chu, Dao-Bao; Huang, Zi-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m506 - m508
• a: 7.5572 ± 0.0015 Å
• b: 9.0637 ± 0.0018 Å
• c: 10.997 ± 0.002 Å
• α: 74.17 ± 0.03°
• β: 84.5 ± 0.03°
• γ: 89.74 ± 0.03°
• Cell volume: 721.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No