Information card for entry 2212527

Structure parameters

• Chemical name: Tris(dimethylammonium) hydrogen a-dodecamolybdosilicate
• Formula: C6 H24 Mo12 N3 O40 Si
• Calculated formula: C6 H24 Mo12 N3 O40 Si
• SMILES: C[NH2+]C.[O]123[Mo]456(=O)O[Mo]782(=O)O[Mo]23(=O)(O5)O[Mo]359([O]%10%11[Si]%121[O]1%13[Mo]%14%15(O4)(O[Mo]%11(O5)(O6)(=O)O[Mo]4%10(O[Mo]51(O%15)(=O)O[Mo]16([O]%10%12[Mo](O7)(O[Mo]%13(O%14)(O8)(=O)O5)(=O)(O[Mo]%10(O3)(O2)(=O)O6)O1)(O4)=O)(O9)=O)=O)=O.C[NH2+]C.C[NH2+]C
• Title of publication: Tris(dimethylammonium) hydrogen α-dodecamolybdosilicate
• Authors of publication: Zong-Jun Ku; Zhong-Hai Zhang; Ke-Li Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m878 - m880
• a: 16.4365 ± 0.0008 Å
• b: 16.4365 ± 0.0008 Å
• c: 25.142 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5882.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes