Information card for entry 1100156

Structure parameters

• Formula: C22 H22 N4 Ni O6
• Calculated formula: C22 H22 N4 Ni O6
• SMILES: [Ni]12(OC(=O)[C@H]([OH]1)c1ccccc1)(OC(=O)[C@H]([OH]2)c1ccccc1)([n]1c[nH]cc1)[n]1c[nH]cc1.[Ni]12(OC(=O)[C@@H]([OH]1)c1ccccc1)(OC(=O)[C@@H]([OH]2)c1ccccc1)([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'
• Authors of publication: Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan
• Journal of publication: Polyhedron
• Year of publication: 2004
• Journal volume: 23
• Pages of publication: 1505 - 1518
• a: 9.17 ± 0.003 Å
• b: 10.936 ± 0.003 Å
• c: 12.717 ± 0.004 Å
• α: 106.91 ± 0.007°
• β: 110.208 ± 0.006°
• γ: 90.172 ± 0.007°
• Cell volume: 1137.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1784
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.644
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No