Information card for entry 7037220

Structure parameters

• Formula: C34 H21 O5 P W
• Calculated formula: C34 H21 O5 P W
• SMILES: C1(=CC2(C=C(c3ccccc3)[P]1(c1c2cccc1)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1ccccc1)c1ccccc1
• Title of publication: 2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.
• Authors of publication: Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2218 - 2226
• a: 11.5473 ± 0.0002 Å
• b: 12.8913 ± 0.0002 Å
• c: 19.8913 ± 0.0003 Å
• α: 90°
• β: 102.46°
• γ: 90°
• Cell volume: 2891.27 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No