Information card for entry 1540028

Structure parameters

• Formula: C23 H27 Cl2 N2 O5 P Si2 W Zn
• Calculated formula: C23 H27 Cl2 N2 O5 P Si2 W Zn
• SMILES: [W]([P](=C1c2[n]([Zn](Cl)(Cl)[n]3c1cccc3)cccc2)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: 8.7858 ± 0.0008 Å
• b: 10.8025 ± 0.001 Å
• c: 17.9022 ± 0.0015 Å
• α: 77.25 ± 0.003°
• β: 86.378 ± 0.004°
• γ: 66.964 ± 0.003°
• Cell volume: 1524.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0672
• 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