Information card for entry 2001430

Structure parameters

• Formula: H38 Mo12 Na3 O59 V
• Calculated formula: Mo12 Na3 O59 V
• SMILES: [Mo]1234([O]56[V]78[O]9%10[Mo]%11%12%13(O[Mo]%14%15%16(O[Mo]5(O2)(=O)(O[Mo]26(O1)(O[Mo]156(O[Mo]%17([O]7%14[Mo]7(O[Mo]%14%18([O]81[Mo](O[Mo]9(O%12)(O[Mo]%10(O%11)(=O)(O%14)O7)(=O)O4)(O3)(O5)(O%18)=O)(O6)=O)(O%15)(O%17)=O)(O2)(O%16)=O)=O)=O)O%13)=O)=O)=O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Structure of Na~3~[VMo~12~O~40~].19H~2~O
• Authors of publication: Zhang, S. W.; Huang, G. Q.; Wei, Y. G.; Shao, M. C.; Tang, Y. Q.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1446 - 1448
• a: 22.334 ± 0.002 Å
• b: 22.334 ± 0.002 Å
• c: 22.334 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11140.4 ± 1.7 ų
• Cell temperature: 299 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.0556
• Goodness-of-fit parameter for significantly intense reflections: 26.65
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No