Information card for entry 7126484

Structure parameters

• Formula: C89 H73 Cd3 Cl3 N6 O14
• Calculated formula: C89 H73 Cd3 Cl3 N6 O14
• 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: 16.4 ± 0.003 Å
• b: 16.98 ± 0.003 Å
• c: 20.488 ± 0.003 Å
• α: 92.38 ± 0.004°
• β: 111.486 ± 0.004°
• γ: 116.958 ± 0.003°
• Cell volume: 4581.4 ± 1.4 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: 0.1571
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.228
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No