Information card for entry 7053543

Structure parameters

• Common name: joerg143 H.Helten ''HHE-298F1'' 100K 13.02.08
• Formula: C20 H28 N3 O5 P S Si2 W
• Calculated formula: C20 H28 N3 O5 P S Si2 W
• SMILES: [W]([P]1(N=C(N=C1c1sccc1)N(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Extended π conjugation in 2H-1,4,2-diazaphosphole complexes
• Authors of publication: Helten, Holger; Daniels, Jörg; Nieger, Martin; Streubel, Rainer
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1593
• a: 11.8239 ± 0.0002 Å
• b: 20.2887 ± 0.0005 Å
• c: 11.927 ± 0.0003 Å
• α: 90°
• β: 104.518 ± 0.001°
• γ: 90°
• Cell volume: 2769.83 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No