Information card for entry 7037221

Structure parameters

• Formula: C54 H40 N2 O4 P2 W
• Calculated formula: C54 H40 N2 O4 P2 W
• SMILES: [W]([p]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)([p]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].N#CC.N#CC
• 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: 29.1358 ± 0.0014 Å
• b: 11.535 ± 0.0006 Å
• c: 15.4712 ± 0.0007 Å
• α: 90°
• β: 119.742 ± 0.001°
• γ: 90°
• Cell volume: 4514.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No