Information card for entry 1540027

Structure parameters

• Formula: C23 H27 Cr N2 O6 P Si2
• Calculated formula: C23 H27 Cr N2 O6 P Si2
• SMILES: [Cr]([P]1(OC1(c1ncccc1)c1ncccc1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes.
• Authors of publication: Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2085 - 2094
• a: 21.2057 ± 0.0004 Å
• b: 52.0922 ± 0.001 Å
• c: 9.9308 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10970.1 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No