Information card for entry 7110920

Structure parameters

• Common name: MIL-31
• Formula: C20 H60 F3 Ga9 N4 O41 P9
• Calculated formula: C20 F4 Ga9 N4 O40 P9
• Title of publication: A new open-framework fluorinated gallium phosphate with large 18-ring channels (MIL-31)
• Authors of publication: Sassoye, Capucine; Loiseau, Thierry; Férey, Gérard; Taulelle, Francis
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 943
• a: 17.4941 ± 0.0001 Å
• b: 32.393 ± 0.0004 Å
• c: 10.0749 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5709.31 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.1068
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No