Information card for entry 2005849

Structure parameters

• Chemical name: {trans-(2,2,4,4-tetrafluoro-1,3-di-t-butyl-1,3-diphosphetane)}- pentacarbonyltungsten(0)
• Formula: C15 H18 F4 O5 P2 W
• Calculated formula: C15 H18 F4 O5 P2 W
• SMILES: [W]([P]1(C(P(C1(F)F)C(C)(C)C)(F)F)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Metal Complexes of <i>trans</i>-2,2,4,4-Tetrafluoro-1,3-di-<i>tert</i>-butyl-1,3-diphosphetane
• Authors of publication: Jones, P. G.; Thöne, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 42 - 45
• a: 16.505 ± 0.004 Å
• b: 11.657 ± 0.003 Å
• c: 21.918 ± 0.006 Å
• α: 90°
• β: 99.79 ± 0.02°
• γ: 90°
• Cell volume: 4155.6 ± 1.9 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.0677
• Goodness-of-fit parameter for all reflections: 0.993
• Goodness-of-fit parameter for significantly intense reflections: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No