Information card for entry 4337537

Structure parameters

• Chemical name: fac-trichlorotris(trimethylphosphine)tungsten(III)
• Formula: C9 H27 Cl3 P3 W
• Calculated formula: C9 H27 Cl3 P3 W
• Title of publication: Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.
• Authors of publication: Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 308 - 317
• a: 31.074 ± 0.012 Å
• b: 31.074 ± 0.012 Å
• c: 13.293 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11116 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No