Information card for entry 7001419

Structure parameters

• Formula: H40 Na5 O62 W12
• Calculated formula: Na5 O62 W12
• SMILES: O1[W]234(=O)[O]5[W]67(O[W]89([O]2[W]21(O8)(O[W]18([O]%10[W]%11%12(O[W]%13%14([O]%11[W](O%12)(O%13)(=O)(O[W]%11(=O)(O[W]5(O6)(=O)(=O)[O]%14%11)(=O)O4)O1)(O7)=O)(=O)O[W]1(=O)(O9)(O[W]%10(O8)(=O)(=O)[O]21)=O)(=O)=O)=O)(O3)=O)(=O)=O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Hydrothermal routes to new sodium hydrogen polytungstates
• Authors of publication: Redrup, Kate V.; Weller, Mark T.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4468 - 4472
• a: 10.8677 ± 0.0004 Å
• b: 12.437 ± 0.0004 Å
• c: 12.5313 ± 0.0004 Å
• α: 72.26 ± 0.002°
• β: 76.107 ± 0.002°
• γ: 87.059 ± 0.002°
• Cell volume: 1565.58 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No