Information card for entry 7008884

Structure parameters

• Formula: K10 Na O84 W20
• Calculated formula: K10 Na O84 W20
• SMILES: [W]1234(=O)O[W]567(=O)O[W]8(=O)(O1)(O[W]19%10(=O)O[W]%11%12(=O)(O[W]%13(=O)(O1)(O[W]1%14%15(=O)O[W]%16(=O)(O[W](=O)(O1)(O5)(O[W]15%17%18%19([W]%20%21%22([W]%231(O[W]1%24%25(=O)O[W]%26%27(=O)([O]%21%23)O[W]%21(=O)(O1)(O[W]1%23%28(=O)O[W]%29(O5)(=O)(O[W](=O)([O]%17%20)(O1)(O%26)[O]%28%29)O[W]1(=O)(=O)(O[W](=O)(=O)(O1)(O%24)O%21)O%23)[O]%25%27)(O%18)(O9)(O8)[O]%19%22)(=O)(O%14)O%13)O6)[O]%15%16)(O2)O%11)[O]%10%12)O3)[O]47.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Polyoxometalates from heteropoly “brown” precursors. A new structural class of mixed valence heteropolytungstates, [(XO4)WIV3WVI17O62Hx]n−
• Authors of publication: Dickman, Michael H.; Ozeki, Tomoji; Evans, Jr., Howard T.; Rong, Chaoying; Jameson, Geoffrey B.; Pope, Michael T.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 149
• a: 12.239 ± 0.0003 Å
• b: 18.049 ± 0.0004 Å
• c: 20.509 ± 0.0005 Å
• α: 66.833 ± 0.001°
• β: 85.364 ± 0.001°
• γ: 76.265 ± 0.001°
• Cell volume: 4045.64 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1057
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections: 0.191
• Weighted residual factors for significantly intense reflections: 0.1744
• Goodness-of-fit parameter for all reflections: 0.978
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No