Information card for entry 4087216

Structure parameters

• Chemical name: AKY-602
• Formula: C24 H16 Cl O5 P W
• Calculated formula: C24 H16 Cl O5 P W
• SMILES: [W]([PH](Cl)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: 9.6127 ± 0.0004 Å
• b: 10.5143 ± 0.0004 Å
• c: 11.6185 ± 0.0005 Å
• α: 90.087 ± 0.002°
• β: 97.409 ± 0.001°
• γ: 94.466 ± 0.001°
• Cell volume: 1160.87 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No