Information card for entry 2200615

Structure parameters

• Chemical name: Tetrabutylammonium(1+) tetrachloroaquaoxomolybdate(1-)
• Formula: C16 H38 Cl4 Mo N O2
• Calculated formula: C16 H38 Cl4 Mo N O2
• SMILES: [Mo](Cl)(Cl)(Cl)(Cl)([OH2])=O.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Tetrabutylammonium aquatetrachlorooxomolybdate(V)
• Authors of publication: Wu, Chuan-De; Zhang, Quan-Zheng; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m511 - m513
• a: 9.401 ± 0.001 Å
• b: 15.77 ± 0.001 Å
• c: 16.845 ± 0.001 Å
• α: 90°
• β: 95.581 ± 0.001°
• γ: 90°
• Cell volume: 2485.5 ± 0.3 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 significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes