Information card for entry 1512469

Structure parameters

• Formula: C18 H28 Cd Cl3 N5 O7
• Calculated formula: C18 H28 Cd Cl3 N5 O7
• SMILES: [Cd]123([O]=N(=O)O1)(ON(=[O]2)=O)([OH2])[n]1n(c(C(C)(C)C)cc1C(C)(C)C)Cc1[n]3cccc1.ClC(Cl)Cl
• Title of publication: Chelating (pyrazolylmethyl)pyridine ligands: Coordination chemistry and binding properties with zinc(II) and cadmium(II) cations
• Authors of publication: Stephen O. Ojwach; George S. Nyamato; Benard Omondi; James Darkw
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 141 - 147
• a: 15.4975 ± 0.0007 Å
• b: 9.8086 ± 0.0004 Å
• c: 19.9825 ± 0.0007 Å
• α: 90°
• β: 117.01 ± 0.003°
• γ: 90°
• Cell volume: 2706.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No