Information card for entry 4087209

Structure parameters

• Chemical name: AS-6
• Formula: C38 H30 N O5 P W
• Calculated formula: C38 H30 N O5 P W
• SMILES: [W]([PH](N(Cc1ccccc1)Cc1ccccc1)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: 10.419 ± 0.004 Å
• b: 10.508 ± 0.005 Å
• c: 16.971 ± 0.008 Å
• α: 84.29 ± 0.02°
• β: 78.87 ± 0.02°
• γ: 64.441 ± 0.019°
• Cell volume: 1644.4 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 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: 0.0264
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No