Information card for entry 8102200

Structure parameters

• Chemical name: tributylmethylammonium tetrachloro(1,4-dioxane)oxotungstate(V) 1,4-dioxane hemisolvate
• Formula: C19 H42 Cl4 N O4 W
• Calculated formula: C19 H42 Cl4 N O4 W
• Title of publication: Crystal structure of tributylmethylammonium tetrachloro(1,4-dioxane)oxotungstate(V) 1,4-dioxane hemisolvate, [N(CH3)(C4H9)3][WOCl4(C4H8O2)] · 0.5C4H8O2
• Authors of publication: Alexander Okrut; Claus Feldmann
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 21
• a: 26.76 ± 0.005 Å
• b: 11.078 ± 0.002 Å
• c: 22.663 ± 0.005 Å
• α: 90°
• β: 125.3 ± 0.03°
• γ: 90°
• Cell volume: 5483 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No