Information card for entry 7014102

Structure parameters

• Formula: C26 H270 Mo20 Na28 O229 P20
• Calculated formula: C26 H44 Mo20 Na28 O215 P20
• SMILES: [Mo]12345([Mo]6(=O)(O1)(O2)(OP1(=O)O[Mo]27([Mo]8(=O)(O2)(O7)(OP2(=O)O[Mo]79%10([Mo]%11(=O)(O7)(O9)(OP7(=O)O[Mo]9%12%13%14([Mo]%15(=O)(O%12)(O%13)(OP%12(=O)O[Mo]%13%16%17([Mo]%18(=O)(O%13)(O%16)(OP(=O)(O4)CP(=O)(O%18)O[Mo]4%13%16%18([Mo]%19(=O)(OP%20(=O)O[Mo]%21%22([Mo]%23(=O)(OP%24(=O)O[Mo]%25%26%27([Mo](=O)(O%25)(O%26)(OP(=O)(O9)C7)(OP7(=O)CP(=O)(O[Mo]9%25%26([Mo]%28(=O)(OP%29(=O)O[Mo]%30%31%32([Mo]%33(=O)(OP(=O)(O%16)CP(=O)(O3)O%33)(O%30)(O%31)[O]=C(O%32)C)(=O)OP(=O)(O%28)C%29)(O9)(O%25)[O]=C(O%26)C)(=O)O7)O%11)[O]=C(O%27)C)(=O)OP(=O)(O%23)C%24)(O%21)(O%22)=O)(=O)(OP(=O)(O%19)C%20)=O)(O4)(O%13)[O]=C(O%18)C)=O)[O]=C(O%17)C)(=O)OP(=O)(O%15)C%12)[O]=C(O%14)C)=O)[O]=C(O%10)C)(=O)OP(=O)(O8)C2)=O)(=O)(OP(=O)(O6)C1)=O)[O]=C(O5)C)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies.
• Authors of publication: du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1259 - 1263
• a: 21.7983 ± 0.0001 Å
• b: 23.1131 ± 0.0003 Å
• c: 22.6727 ± 0.0003 Å
• α: 90°
• β: 97.792 ± 0.001°
• γ: 90°
• Cell volume: 11317.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No