Information card for entry 1512470

Structure parameters

• Formula: C12 H16 Cd N5 O7
• Calculated formula: C12 H16 Cd N5 O7
• SMILES: [OH](C)[Cd]123([O]=N(=O)O3)([n]3c(cc(C)n3Cc3cccc[n]13)C)ON(=[O]2)=O
• 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: 7.4953 ± 0.0006 Å
• b: 13.927 ± 0.001 Å
• c: 15.7195 ± 0.0012 Å
• α: 90°
• β: 92.078 ± 0.002°
• γ: 90°
• Cell volume: 1639.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No