Information card for entry 2207228

Structure parameters

• Common name: Diaquabis(D-valinato-κ^2^N,O)nickel(II)
• Chemical name: diaquabis(2-amino-3-methylbutyrato-κ^2^N,O)nickel(II)
• Formula: C10 H24 N2 Ni O6
• Calculated formula: C10 H24 N2 Ni O6
• SMILES: C1(=O)[C@H](C(C)C)[NH2][Ni]2(O1)([OH2])([NH2][C@H](C(=O)O2)C(C)C)[OH2]
• Title of publication: Diaquabis(<small>D</small>-valinato-κ^2^<i>N</i>,<i>O</i>)nickel(II)
• Authors of publication: Bian, He-Dong; Zhang, Xiu-Qing; Yang, Xiao-E; Yu, Qing; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2237 - m2239
• a: 9.863 ± 0.005 Å
• b: 6.458 ± 0.003 Å
• c: 13.007 ± 0.007 Å
• α: 90°
• β: 111.199 ± 0.008°
• γ: 90°
• Cell volume: 772.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes