Information card for entry 4087207

Structure parameters

• Chemical name: AS-2
• Formula: C29 H26 N O5 P W
• Calculated formula: C29 H26 N O5 P W
• SMILES: [W]([PH](N1CCCCC1)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: 14.7592 ± 0.0005 Å
• b: 32.0367 ± 0.001 Å
• c: 11.2598 ± 0.0004 Å
• α: 90°
• β: 91.4175 ± 0.0012°
• γ: 90°
• Cell volume: 5322.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No