Information card for entry 4087213

Structure parameters

• Chemical name: AS-31
• Formula: C27 H24 N O5 P W
• Calculated formula: C27 H24 N O5 P W
• SMILES: [W]([P](N(C)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: 10.5144 ± 0.0006 Å
• b: 15.2601 ± 0.001 Å
• c: 16.9086 ± 0.0011 Å
• α: 105.035 ± 0.002°
• β: 102.792 ± 0.002°
• γ: 91.822 ± 0.002°
• Cell volume: 2543.6 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0249
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No