Information card for entry 1506840

Structure parameters

• Formula: C12 H52 Al2 N8 O21 P4
• Calculated formula: C12 H42 Al2 N8 O21 P4
• Title of publication: Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16)
• Authors of publication: Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2004
• Journal volume: 108
• Journal issue: 52
• Pages of publication: 20020
• a: 17.6569 ± 0.0008 Å
• b: 15.4289 ± 0.0007 Å
• c: 25.5819 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6969.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No