Information card for entry 2011438

Structure parameters

• Chemical name: tetramethylammonium di-chloro-di-μ~2~-oxo-tetra-μ~2~-methoxotetradioxo -tetramolybdate(VI)
• Formula: C12 H36 Cl2 Mo4 N2 O14
• Calculated formula: C12 H36 Cl2 Mo4 N2 O14
• SMILES: [N+](C)(C)(C)C.C[O]12[Mo]3(=O)(=O)(Cl)O[Mo]41(=O)([O]1(C)[Mo](Cl)(O[Mo]21([O]3C)(=O)=O)([O]4C)(=O)=O)=O.[N+](C)(C)(C)C
• Title of publication: The polyoxometallate [(CH~3~)~4~N]~2~[Mo~4~O~10~(OCH~3~)~4~Cl~2~]
• Authors of publication: Strukan, Neven; Cindrić, Marina; Kajfež, Tanja; Kamenar, Boris; Giester, Gerald
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e443 - e444
• a: 8.81 ± 0.002 Å
• b: 11.047 ± 0.002 Å
• c: 15.085 ± 0.003 Å
• α: 90°
• β: 98.67 ± 0.03°
• γ: 90°
• Cell volume: 1451.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes