Information card for entry 2014774

Structure parameters

• Common name: MIL-12 (Ga)
• Chemical name: Digallium phosphate pentafluoride propane-1,3-diaminium
• Formula: C3 H12 F5 Ga2 N2 O4 P
• Calculated formula: C3 H12 F5 Ga2 N2 O4 P
• Title of publication: A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga~2~(PO~4~)F~5~·C~3~H~12~N~2~
• Authors of publication: Loiseau, Thierry; Ferey, Gerard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m315 - m317
• a: 6.2082 ± 0.0001 Å
• b: 7.2183 ± 0.0001 Å
• c: 11.2335 ± 0.0003 Å
• α: 90°
• β: 100.477 ± 0.002°
• γ: 90°
• Cell volume: 495.01 ± 0.017 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes