Information card for entry 4313737

Structure parameters

• Common name: [W(CO)5PH(CF3)2]
• Formula: C7 H F6 O5 P W
• Calculated formula: C7 H F6 O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[PH](C(F)(F)F)C(F)(F)F
• Title of publication: Bis(trifluoromethyl)phosphane and Bis(pentafluorophenyl)phosphane and Their Pentacarbonyl Tungsten Complexes: Improved Synthesis and an Experimental and Density Functional Study
• Authors of publication: Berthold Hoge; Tobias Herrmann; Christoph Thösen; Ingo Pantenburg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3623 - 3632
• a: 6.613 ± 0.002 Å
• b: 7.084 ± 0.002 Å
• c: 15.455 ± 0.004 Å
• α: 77.22 ± 0.02°
• β: 89.87 ± 0.02°
• γ: 67.98 ± 0.02°
• Cell volume: 652 ± 0.3 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.0653
• Goodness-of-fit parameter for all reflections: 0.799
• Goodness-of-fit parameter for significantly intense reflections: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No