Information card for entry 4086166

Structure parameters

• Formula: C17 H31 N2 O5 P S Si2 W
• Calculated formula: C17 H31 N2 O5 P S Si2 W
• SMILES: [W]([S]=P(=C(N(C)C)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: Formation of Transient and Stable 1,3-Dipole Complexes with P,S,C and S,P,C Ligand Skeletons
• Authors of publication: Streubel, Rainer; Faßbender, Jan; Schnakenburg, Gregor; Espinosa Ferao, Arturo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3103
• a: 11.4245 ± 0.0004 Å
• b: 10.8185 ± 0.0004 Å
• c: 22.6384 ± 0.0006 Å
• α: 90°
• β: 112.729 ± 0.002°
• γ: 90°
• Cell volume: 2580.73 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No