Information card for entry 7113470

Structure parameters

• Common name: 3,5,6,6-tetraphenyl-2-thia-1-phosphabicyclo(3.1.0)hex-3-ene P- (pentacarbonyl)tungsten
• Chemical name: 3,5,6,6-tetraphenyl-2-thia-1-phosphabicyclo[3.1.0]hex-3-ene P-(pentacarbonyl)tungsten
• Formula: C33 H21 O5 P S W
• Calculated formula: C33 H21 O5 P S W
• SMILES: [W]([P@]12SC(=C[C@]1(C2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@]12SC(=C[C@@]1(C2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Different thermal reactivity of a 1,2-thiaphospholo[a]phosphirane in free and metal carbonyl complexed form
• Authors of publication: Jikyo, Tamaki; Maas, Gerhard
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 2794 - 2795
• a: 11.159 ± 0.003 Å
• b: 11.268 ± 0.003 Å
• c: 13.387 ± 0.004 Å
• α: 69.34 ± 0.03°
• β: 79.86 ± 0.03°
• γ: 69.31 ± 0.03°
• Cell volume: 1470.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104904
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No