Information card for entry 2200408

Structure parameters

• Chemical name: tetradimethylammonium hexahydroxytriacontaoxo- (tetraoxophosphato)dodecamolybdate dichloride
• Formula: C8 H44 Cl2 Mo12 N4 O44 P
• Calculated formula: C8 H24 Cl2 Mo12 N4 O44 P
• SMILES: C[NH2+]C.C[NH2+]C.C[NH2+]C.O=[Mo]1234[O]56P78=[O][Mo]9%10%11(O[Mo]%12%13(O[Mo]%14%15(=O)([O]%167[Mo]7(O%14)(=O)(O%11)O[Mo]%16(O%15)(=O)(O[Mo]%11%14(O[Mo](O%10)(O8)(O[Mo]8(O[Mo](O[Mo]5(O[Mo]6(O3)(O8)(O%11)=O)(O1)(O%12)=O)(O9)(=O)O%13)(=O)O%14)(O7)=O)=O)O4)O2)=O)=O.[Cl-].[Cl-].O.O.O.C[NH2+]C.O
• Title of publication: [(CH~3~)~2~NH~2~]~4~[H~4~PMo~12~O~40~]Cl~2~·4H~2~O
• Authors of publication: Wu, Chuan-De; Lu, Can-Zhong; Lin, Xiang; Yang, Wen-Bin; Zhuang, Hong-Hui; Huang, Jin-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: m390 - m392
• a: 14.9803 ± 0.0007 Å
• b: 15.0682 ± 0.0008 Å
• c: 22.6217 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5106.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes