Information card for entry 2017973

Structure parameters

• Chemical name: Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten
• Formula: C8 H6 B F3 O4 W
• Calculated formula: C8 H6 B F3 O4 W
• SMILES: [W]1234([OH][B](F)(F)F)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten
• Authors of publication: Roll, Joachim; Tewes, Heiko; Castillo Soto, Eduardo; Oñate Rodríguez, Enrique
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m43 - m45
• a: 10.7679 ± 0.0017 Å
• b: 8.5489 ± 0.0014 Å
• c: 11.4313 ± 0.0018 Å
• α: 90°
• β: 95.297 ± 0.002°
• γ: 90°
• Cell volume: 1047.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes