Information card for entry 7225338

Structure parameters

• Formula: C10 H18 Cd N4 O8
• Calculated formula: C10 H18 Cd N4 O8
• SMILES: c1c(c(C)[nH][n]1[Cd]([n]1cc(c(C)[nH]1)C(=O)[O-])([OH2])([OH2])([OH2])[OH2])C(=O)[O-]
• Title of publication: Three Metal Complexes Derived from 3-Methyl-1H-Pyrazole-4-Carboxylic Acid: Synthesis, Crystal Structures, Luminescence and Electrocatalytic Properties
• Authors of publication: Liu, Qi; Liu, Jing; Cheng, Mei-Ling; Yu, Lili; Chen, Sheng-Chun; Shao, Yongliang; Zhai, Changwei; Yin, Fengxiang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.2694 ± 0.001 Å
• b: 7.2818 ± 0.0011 Å
• c: 8.2989 ± 0.0012 Å
• α: 111.267 ± 0.003°
• β: 109.883 ± 0.003°
• γ: 91.968 ± 0.003°
• Cell volume: 378.69 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No