Information card for entry 4071149

Structure parameters

• Formula: C22 H21 O6 P W
• Calculated formula: C22 H21 O6 P W
• SMILES: C1(c2ccccc2)O[P]1(C1(C(=C(C(=C1C)C)C)C)C)[W](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: 9.488 ± 0.0005 Å
• b: 10.33 ± 0.0004 Å
• c: 13.083 ± 0.0006 Å
• α: 101.576 ± 0.002°
• β: 109.73 ± 0.002°
• γ: 103.089 ± 0.002°
• Cell volume: 1120.65 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No