Information card for entry 7046617

Structure parameters

• Formula: C72 H84 Cl2 Cu9 N32 O24
• Calculated formula: C72 H84 Cl2 Cu9 N32 O24
• Title of publication: A bifunctional cationic metal-organic framework based on unprecedented nonanuclear copper(ii) cluster for high dichromate and chromate trapping and highly efficient photocatalytic degradation of organic dyes under visible light irradiation.
• Authors of publication: Zheng, Tian-Rui; Qian, Lin-Lu; Li, Min; Wang, Zhi-Xiang; Li, Ke; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9103 - 9113
• a: 18.438 ± 0.004 Å
• b: 18.438 ± 0.004 Å
• c: 18.792 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5533 ± 2 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No