Information card for entry 1100164

Structure parameters

• Formula: C14 H22 N4 Ni O6
• Calculated formula: C14 H22 N4 Ni O6
• SMILES: [Ni]12(OC(=O)C([OH]1)(C)C)(OC(=O)C([OH]2)(C)C)([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: 19.392 ± 0.007 Å
• b: 8.477 ± 0.003 Å
• c: 11.412 ± 0.004 Å
• α: 90°
• β: 111.795 ± 0.007°
• γ: 90°
• Cell volume: 1741.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No