Information card for entry 7221527

Structure parameters

• Formula: C42 H0 Cl0 Cu3 N3 O21 P3
• Calculated formula: C42 H24 Cu3 N3 O21 P3
• Title of publication: A metal‒organic framework based on cyclotriphosphazene-functionalized hexacarboxylate for selective adsorption of CO2and C2H6over CH4at room temperature
• Authors of publication: Ling, Yajing; Song, Chengling; Feng, Yunlong; Zhang, Mingxing; He, Yabing
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 33
• Pages of publication: 6314
• a: 12.6305 ± 0.0012 Å
• b: 14.5753 ± 0.0007 Å
• c: 22.114 ± 0.003 Å
• α: 93.228 ± 0.006°
• β: 100.746 ± 0.009°
• γ: 98.776 ± 0.006°
• Cell volume: 3937.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2527
• Residual factor for significantly intense reflections: 0.1921
• Weighted residual factors for significantly intense reflections: 0.4431
• Weighted residual factors for all reflections included in the refinement: 0.491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No