Information card for entry 8106279

Structure parameters

• Formula: C36 H30 Cl2 Cu2 N8 O4
• Calculated formula: C36 H30 Cl2 Cu2 N8 O4
• Title of publication: The crystal structure of chlorido(2-(1H-pyrazol-3-yl)phenolato-κ2 N,O)(2-(1H-pyrazol-3-yl)phenol-κN)copper(II), C18H15ClCuN4O2
• Authors of publication: Li, Wu-Wu; Zheng, Min-Yan; Zhang, Zun-Ting
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 735 - 737
• a: 8.938 ± 0.003 Å
• b: 9.228 ± 0.003 Å
• c: 12.127 ± 0.006 Å
• α: 105.478 ± 0.007°
• β: 110.358 ± 0.008°
• γ: 99.727 ± 0.006°
• Cell volume: 865 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No