Information card for entry 7000088

Structure parameters

• Formula: C2 H7 Na O6.5 P2 Sc
• Calculated formula: C2 H6 Na O6.25 P2 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: 17.79734 ± 0.00008 Å
• b: 17.79734 ± 0.00008 Å
• c: 5.38859 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.81 ± 0.014 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor R(I) for significantly intense reflections: 7.7395
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.6325 Å
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No