Information card for entry 4349874

Structure parameters

• Formula: C48 H36 Br6 Ho2 N5 O22 P3
• Calculated formula: C48 H32 Br6 Ho2 N5 O22 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: 12.3748 ± 0.0009 Å
• b: 17.8829 ± 0.0011 Å
• c: 18.332 ± 0.0012 Å
• α: 105.84 ± 0.003°
• β: 106.771 ± 0.003°
• γ: 109.139 ± 0.003°
• Cell volume: 3353 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1002
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2618
• Weighted residual factors for all reflections included in the refinement: 0.2838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No