Information card for entry 2201703

Structure parameters

• Chemical name: Bis(L-lactato)diaquanickel(II)
• Formula: C6 H14 Ni O8
• Calculated formula: C6 H14 Ni O8
• SMILES: [Ni]12([OH2])([OH2])(OC(=O)[C@@H]([OH]1)C)OC(=O)[C@@H]([OH]2)C
• Title of publication: Diaquadi(<small>L</small>-lactato)nickel(II)
• Authors of publication: Zhou, Zhao-Hui; Ye, Jian-Jun; Zhong, Hao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m326 - m327
• a: 6.033 ± 0.001 Å
• b: 11.805 ± 0.001 Å
• c: 14.354 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1022.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes