Information card for entry 7700043

Structure parameters

• Formula: C66 H27 Cl0.5 Cu6 N3 O35
• Calculated formula: C66 H27 Cl0.5 Cu6 N3 O35
• Title of publication: Reaction duration-dependent formation of two Cu(ii)-MOFs with selective adsorption properties of C₃H₄ over C₃H₆.
• Authors of publication: Xu, Ming-Ming; Kong, Xiang-Jing; He, Tao; Wu, Xue-Qian; Xie, Lin-Hua; Li, Jian-Rong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9225 - 9233
• a: 18.4362 ± 0.0007 Å
• b: 33.5056 ± 0.001 Å
• c: 25.5225 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15765.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No