Information card for entry 4071150

Structure parameters

• Formula: C24 H25 O7 P W
• Calculated formula: C24 H25 O7 P W
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P@]12[C@H]([C@@]3([C@]([C@H](C)O1)([C@](C(=C3C)C)(C)O2)C)C)c1ccccc1.C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P@@]12[C@@H]([C@]3([C@@]([C@@H](C)O1)([C@@](C(=C3C)C)(C)O2)C)C)c1ccccc1
• 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: 10.4536 ± 0.0002 Å
• b: 15.8144 ± 0.0004 Å
• c: 14.87 ± 0.0004 Å
• α: 90°
• β: 99.6078 ± 0.0015°
• γ: 90°
• Cell volume: 2423.79 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No