Information card for entry 4507874

Structure parameters

• Formula: C24 H18 Cu F6 N4 O4 Si
• Calculated formula: C24 H18 Cu F6 N4 O4 Si
• Title of publication: Metal‒Organic Framework with Functional Amide Groups for Highly Selective Gas Separation
• Authors of publication: Xiong, Shunshun; He, Yabing; Krishna, Rajamani; Chen, Banglin; Wang, Zhiyong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2670
• a: 18.2679 ± 0.0003 Å
• b: 18.2679 ± 0.0003 Å
• c: 15.9522 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5323.5 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No