Information card for entry 7116588

Structure parameters

• Formula: C22 H29 N2 O5 P W
• Calculated formula: C22 H29 N2 O5 P W
• SMILES: C1(N(C(C)C)[P]1(C1(C(=C(C(=C1C)C)C)C)C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])=NC(C)C
• Title of publication: Going for strain: synthesis of the first 3-imino-azaphosphiridine complexes and their conversion into oxaphosphirane complex valence isomers
• Authors of publication: Jose Manuel Villalba Franco; Takahiro Sasamori; Gregor Schnakenburg; Arturo Espinosa Ferao; Rainer Streubel
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3878
• a: 10.9909 ± 0.0005 Å
• b: 11.0605 ± 0.0006 Å
• c: 12.874 ± 0.001 Å
• α: 108.084 ± 0.004°
• β: 95.194 ± 0.004°
• γ: 118.186 ± 0.002°
• Cell volume: 1257.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No