Information card for entry 1566062

Structure parameters

• Formula: C18 H17 N6 O6 Zn
• Calculated formula: C18 H16 N6 O6 Zn
• Title of publication: Two Cu(II) and Zn(II) complexes derived from 5-(Pyrazol-1-yl)nicotinic acid: Crystal structure, DNA binding and anticancer studies
• Authors of publication: Ji, Xiaoxi; Zhu, Xiaopeng; Chen, Shiyu; Song, Dongxue; Wu, Shuangyan; Zhang, Ying; Gao, Enjun; Xu, Jin; Zhu, Mingchang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2022
• Journal volume: 305
• Pages of publication: 122707
• a: 11.9796 ± 0.0012 Å
• b: 10.0261 ± 0.001 Å
• c: 16.1223 ± 0.0018 Å
• α: 90°
• β: 95.807 ± 0.003°
• γ: 90°
• Cell volume: 1926.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No