Information card for entry 4071151

Structure parameters

• Formula: C29 H27 O7 P W
• Calculated formula: C29 H27 O7 P W
• SMILES: [W]([P@@]12O[C@@H]([C@@]3([C@]([C@H]2c2ccccc2)([C@](O1)(C(=C3C)C)C)C)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]12O[C@H]([C@]3([C@@]([C@@H]2c2ccccc2)([C@@](O1)(C(=C3C)C)C)C)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of Novel O,P,C-Cage Complexes via Thermal C−O Ring Opening of an Oxaphosphirane W(CO)5Complex
• Authors of publication: Bode, Maren; Schnakenburg, Gregor; Jones, Peter G.; Streubel, Rainer
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2664
• a: 8.8233 ± 0.0008 Å
• b: 10.726 ± 0.001 Å
• c: 15.0798 ± 0.0014 Å
• α: 92.218 ± 0.004°
• β: 105.029 ± 0.004°
• γ: 93.583 ± 0.004°
• Cell volume: 1373.4 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No