Information card for entry 1512468

Structure parameters

• Formula: C11 H13 N5 O6 Zn
• Calculated formula: C11 H13 N5 O6 Zn
• SMILES: [n]12n(c(cc1C)C)Cc1[n](cccc1)[Zn]132([O]=N(=O)O1)ON(=[O]3)=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: 12.169 ± 0.005 Å
• b: 16.839 ± 0.005 Å
• c: 18.493 ± 0.005 Å
• α: 90°
• β: 131.15 ± 0.016°
• γ: 90°
• Cell volume: 2853.4 ± 1.8 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: 0.0918
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No