Information card for entry 4087208

Structure parameters

• Chemical name: AS-3
• Formula: C26 H22 N O5 P W
• Calculated formula: C26 H22 N O5 P W
• SMILES: [W]([PH](N(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: 1,1′-Bifunctional Aminophosphane Complexes via N‒H Bond Insertions of a Li/Cl Phosphinidenoid Complex and First Studies on N/P Mono Functionalizations
• Authors of publication: Streubel, Rainer; Schmer, Alexander; Kyri, Andreas W.; Schnakenburg, Gregor
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 31.6772 ± 0.0009 Å
• b: 11.5478 ± 0.0003 Å
• c: 13.5495 ± 0.0004 Å
• α: 90°
• β: 99.2472 ± 0.0009°
• γ: 90°
• Cell volume: 4892 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No