Information card for entry 7235676

Structure parameters

• Formula: C32 H32 Cd3 Cl6 N16
• Calculated formula: C32 H32 Cd3 Cl6 N16
• Title of publication: Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization
• Authors of publication: Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 48
• Pages of publication: 25172
• a: 16.829 ± 0.004 Å
• b: 21.25 ± 0.006 Å
• c: 7.2108 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2578.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No