Information card for entry 7115144

Structure parameters

• Formula: C33 H48 N2 O5 P2 Si4 W
• Calculated formula: C33 H48 N2 O5 P2 Si4 W
• SMILES: [W]([P]1(N=C(P(C(=N1)c1ccccc1)C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Unexpected dimerisation of a 2H-azaphosphirene complex
• Authors of publication: Streubel, Rainer; Wilkens, Hendrik; Ruthe, Frank; Jones, Peter G.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 2453
• a: 18.44 ± 0.003 Å
• b: 9.831 ± 0.003 Å
• c: 25.145 ± 0.004 Å
• α: 90°
• β: 111.491 ± 0.01°
• γ: 90°
• Cell volume: 4241.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No