Information card for entry 4100122

Structure parameters

• Formula: C21 H13 O5 P W
• Calculated formula: C21 H13 O5 P W
• SMILES: C1=Cc2c(C=C[P]1(c1ccccc1)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])cccc2
• Title of publication: Phosphepines: Convenient Access to Phosphinidene Complexes
• Authors of publication: Borst, Mark L. G.; Bulo, R. E.; Winkel, Christiaan W.; Gibney, Daniele J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 16.6552 ± 0.0003 Å
• b: 10.3703 ± 0.0001 Å
• c: 11.7614 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2031.42 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No