Information card for entry 7028893

Structure parameters

• Formula: C27 H21 O6 P W
• Calculated formula: C27 H21 O6 P W
• SMILES: C(c1ccccc1)(c1ccccc1)(c1ccccc1)[PH](OCC=C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.
• Authors of publication: Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2088 - 2097
• a: 12.1595 ± 0.0002 Å
• b: 10.5241 ± 0.0003 Å
• c: 19.7949 ± 0.0005 Å
• α: 90°
• β: 97.6003 ± 0.0014°
• γ: 90°
• Cell volume: 2510.86 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No