Information card for entry 7225337

Structure parameters

• Formula: C20 H28 Cd3 Cl2 N8 O12
• Calculated formula: C20 H28 Cd3 Cl2 N8 O12
• 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: 9.587 ± 0.002 Å
• b: 14.232 ± 0.003 Å
• c: 12.454 ± 0.003 Å
• α: 90°
• β: 104.76 ± 0.005°
• γ: 90°
• Cell volume: 1643.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No