Information card for entry 1519017

Structure parameters

• Formula: C6 H25 Al6 F3 N4 O26 P6
• Calculated formula: C6 Al6 F3 N4 O27 P6
• Title of publication: Synthesis and crystal structure of MIL-27, a new oxyfluorinated three-dimensional framework metallophosphate obtained with aluminium in four, five and sixfold coordination and templated with the tris(2-aminoethyl)amine
• Authors of publication: Simon, N.; Loiseau, T.; Ferey, G.
• Journal of publication: Solid State Sciences
• Year of publication: 1999
• Journal volume: 1
• Pages of publication: 339 - 349
• a: 14.2604 ± 0.0001 Å
• b: 11.5999 ± 0.0002 Å
• c: 18.3249 ± 0.0003 Å
• α: 90°
• β: 90.324 ± 0.001°
• γ: 90°
• Cell volume: 3031.24 ± 0.08 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No