Information card for entry 7126485

Structure parameters

• Formula: C81.1 H58.4 Cd3 Cl3 N4.5 O13.7
• Calculated formula: C81.1 H58.36 Cd3 Cl3 N4.5 O13.7
• Title of publication: An N,N'-diethylformamide solvent-induced conversion cascade within a metal-organic framework single crystal.
• Authors of publication: Chen, Jing; Chao, Meng-Yao; Yan Liu, ?; Xu, Bo-Wei; Zhang, Wen-Hua; Young, David J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 44
• Pages of publication: 5877 - 5880
• a: 16.36 ± 0.007 Å
• b: 17.031 ± 0.007 Å
• c: 19.943 ± 0.009 Å
• α: 89.551 ± 0.012°
• β: 69.596 ± 0.011°
• γ: 62.889 ± 0.009°
• Cell volume: 4559 ± 3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1704
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.2686
• Weighted residual factors for all reflections included in the refinement: 0.2945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No