Information card for entry 7000087

Structure parameters

• Formula: C H5 F O4 P Sc
• Calculated formula: C H5 F O4 P Sc
• Title of publication: Synthesis and structure of the framework scandium methylphosphonates ScF(H2O)CH3PO3 and NaSc(CH3PO3)2.0.5H2O.
• Authors of publication: Miller, Stuart R.; Lear, Emily; Gonzalez, Jorge; Slawin, Alexandra M. Z.; Wright, Paul A.; Guillou, Nathalie; Férey, Gérard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 20
• Pages of publication: 3319 - 3325
• a: 7.532 ± 0.002 Å
• b: 8.081 ± 0.003 Å
• c: 8.721 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 530.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No