Information card for entry 1563790

Structure parameters

• Formula: C3 H3 Cl Cu3 N12 O2
• Calculated formula: C3 H3 Cl Cu3 N12 O2
• Title of publication: Continuous regulation of the architectures of cupric tetrazolate coordination polymers via the pH and temperature
• Authors of publication: Gao, Hui; Liu, Min-Min; Zhai, Quan-Guo; Wei, Xing-Xing; Yang, Jin-Xiang; Zhang, Xian-Ming
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2019
• Journal volume: 276
• Pages of publication: 244 - 250
• a: 9.2922 ± 0.0018 Å
• b: 23.934 ± 0.005 Å
• c: 12.29 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2733.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No