Information card for entry 2212691

Structure parameters

• Chemical name: Tetrakis(dimethylammonium) hexachloridotungsten(III) chloride
• Formula: C8 H32 Cl7 N4 W
• Calculated formula: C8 H32 Cl7 N4 W
• SMILES: C[NH2+]C.C[NH2+]C.[W](Cl)(Cl)(Cl)([Cl-])([Cl-])[Cl-].[Cl-].C[NH2+]C.C[NH2+]C
• Title of publication: Tetrakis(dimethylammonium) hexachlorotungstate(III) chloride
• Authors of publication: Wei Xu; Jian-Li Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m767 - m769
• a: 10.297 ± 0.002 Å
• b: 13.107 ± 0.003 Å
• c: 8.7121 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1175.8 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes