Information card for entry 7020649

Structure parameters

• Formula: C20 H84 F16 Ga12 N8 O56 P12 Rb4
• Calculated formula: C20 H64 F16 Ga12 N8 O56 P12 Rb4
• Title of publication: Single-crystal XRD and solid-state NMR structural resolution of a layered fluorinated gallium phosphate: RbGa3(PO4)(2)(HPO4)F4·C5N2H16·2H2O (MIL-145).
• Authors of publication: Martineau, Charlotte; Loiseau, Thierry; Beitone, Lionel; Férey, Gérard; Bouchevreau, Boris; Taulelle, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 422 - 431
• a: 14.4314 ± 0.0002 Å
• b: 9.1152 ± 0.0002 Å
• c: 16.7889 ± 0.0001 Å
• α: 90°
• β: 112.708 ± 0.001°
• γ: 90°
• Cell volume: 2037.3 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No