Information card for entry 7126488

Structure parameters

• Formula: C94 H83 Cd3 Cl3 N7 O15
• Calculated formula: C94 H83 Cd3 Cl3 N7 O15
• 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: 16.459 ± 0.005 Å
• b: 17.028 ± 0.005 Å
• c: 20.704 ± 0.006 Å
• α: 92.164 ± 0.008°
• β: 111.745 ± 0.007°
• γ: 117.015 ± 0.007°
• Cell volume: 4650 ± 2 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: 0.1693
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No