Information card for entry 1100161

Structure parameters

• Formula: C12 H19 N4 O6.5 Zn
• Calculated formula: C12 H18 N4 O6.5 Zn
• SMILES: [Zn]12(OC(=O)[C@H]([OH]1)C)(OC(=O)[C@H]([OH]2)C)([n]1c[nH]cc1)[n]1c[nH]cc1.O.[Zn]12(OC(=O)[C@@H]([OH]1)C)(OC(=O)[C@@H]([OH]2)C)([n]1c[nH]cc1)[n]1c[nH]cc1.O
• 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: 20.4557 ± 0.0018 Å
• b: 10.4408 ± 0.0009 Å
• c: 15.0918 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3223.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No