Information card for entry 7235678

Structure parameters

• Formula: C40 H42.96 Cd3 I6 N20 O1.48
• Calculated formula: C40 H40 Cd3 I6 N20 O1.48
• 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: 9.4335 ± 0.0013 Å
• b: 18.353 ± 0.003 Å
• c: 32.499 ± 0.005 Å
• α: 90°
• β: 95.807 ± 0.002°
• γ: 90°
• Cell volume: 5597.8 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No