Information card for entry 7126487

Structure parameters

• Formula: C83.5 H62.1 Cd3 N5.1 O13.5
• Calculated formula: C83.5 H62.1 Cd3 N5.1 O13.5
• 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: 16.377 ± 0.003 Å
• b: 17.024 ± 0.004 Å
• c: 20.123 ± 0.004 Å
• α: 90.241 ± 0.005°
• β: 110.656 ± 0.005°
• γ: 117.102 ± 0.004°
• Cell volume: 4580.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.1305
• Weighted residual factors for significantly intense reflections: 0.2806
• Weighted residual factors for all reflections included in the refinement: 0.2999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No