Information card for entry 4349875

Structure parameters

• Formula: C49 H39 Ho2 N3 O27 P3
• Calculated formula: C49 H39 Ho2 N3 O27 P3
• Title of publication: Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives
• Authors of publication: Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 2227
• a: 14.0524 ± 0.0004 Å
• b: 24.5135 ± 0.0007 Å
• c: 26.5196 ± 0.0008 Å
• α: 90°
• β: 101.943 ± 0.002°
• γ: 90°
• Cell volume: 8937.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No