Information card for entry 2212766

Structure parameters

• Chemical name: trans-Diaquabis(quinoline-2-carboxylato)nickel(II) dimethylformamide disolvate
• Formula: C26 H30 N4 Ni O8
• Calculated formula: C26 H30 N4 Ni O8
• SMILES: N(C)(C)C=O.[OH2][Ni]12([n]3c(ccc4ccccc34)C(=O)O1)([n]1c(ccc3ccccc13)C(=O)O2)[OH2].N(C)(C)C=O
• Title of publication: <i>trans</i>-Diaquabis(quinoline-2-carboxylato)nickel(II) dimethylformamide disolvate
• Authors of publication: Zhang, Xiao; Yang, Qing-Feng; Yi, Zhi-Hui; Xu, Ji-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1034 - m1036
• a: 11.447 ± 0.002 Å
• b: 9.3143 ± 0.0019 Å
• c: 12.78 ± 0.003 Å
• α: 90°
• β: 97.38 ± 0.03°
• γ: 90°
• Cell volume: 1351.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes