Information card for entry 7034983

Structure parameters

• Formula: C26 H16 N O4 P W
• Calculated formula: C26 H16 N O4 P W
• SMILES: [W]1([p]2c(cc(cc2c2[n]1cccc2)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: 2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.
• Authors of publication: de Krom, Iris; Lutz, Martin; Müller, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10304 - 10314
• a: 15.7856 ± 0.0004 Å
• b: 18.8326 ± 0.0005 Å
• c: 7.2886 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2166.78 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0114
• Residual factor for significantly intense reflections: 0.0108
• Weighted residual factors for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections included in the refinement: 0.0278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No