Information card for entry 2209846

Structure parameters

• Chemical name: Hexaaquanickel(II) bis(dimethyl phosphate)
• Formula: C4 H24 Ni O14 P2
• Calculated formula: C4 H24 Ni O14 P2
• SMILES: COP(=O)([O-])OC.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].COP(=O)([O-])OC
• Title of publication: Hexaaquanickel(II) bis(dimethyl phosphate)
• Authors of publication: Rafizadeh, M; Amani, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1776 - m1777
• a: 12.45 ± 0.002 Å
• b: 7.1208 ± 0.0014 Å
• c: 9.7342 ± 0.0019 Å
• α: 90°
• β: 111.492 ± 0.004°
• γ: 90°
• Cell volume: 803 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes