Information card for entry 1563789

Structure parameters

• Formula: C9 H6 Cl Cu5 N36
• Calculated formula: C9 H3 Cl Cu5 N36
• 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: 12.3657 ± 0.0019 Å
• b: 12.3657 ± 0.0019 Å
• c: 12.59 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1667.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No