Information card for entry 7034984

Structure parameters

• Formula: C26 H16 Cr N2 O4
• Calculated formula: C26 H16 Cr N2 O4
• SMILES: [Cr]1([n]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: 9.5048 ± 0.0002 Å
• b: 10.493 ± 0.0003 Å
• c: 12.1845 ± 0.0003 Å
• α: 100.514 ± 0.001°
• β: 107.177 ± 0.001°
• γ: 104.629 ± 0.001°
• Cell volume: 1079.06 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No