Information card for entry 2215504

Structure parameters

• Chemical name: Diaquabis(malato-κ^2^O,O')nickel(II)
• Formula: C8 H14 Ni O12
• Calculated formula: C8 H14 Ni O12
• SMILES: [C@@H]1(CC(=O)O)[OH][Ni]2([OH][C@@H](C(=O)O2)CC(=O)O)(OC1=O)([OH2])[OH2]
• Title of publication: Diaquabis(malato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Hui-Qin Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2470 - m2470
• a: 8.4762 ± 0.0005 Å
• b: 7.4377 ± 0.0004 Å
• c: 10.3117 ± 0.0006 Å
• α: 90°
• β: 102.68 ± 0.001°
• γ: 90°
• Cell volume: 634.23 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes