Information card for entry 7709416

Structure parameters

• Chemical name: AS-226
• Formula: C70 H64 N2 O11 P4 W2
• Calculated formula: C70 H64 N2 O11 P4 W2
• Title of publication: Synthesis of azadiphosphiridine complexes. Theoretical studies on ring formation, the P-to-P' metal shift and the resulting nitrogen geometry.
• Authors of publication: Schmer, Alexander; García Alcaraz, Antonio; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 3275 - 3279
• a: 9.2415 ± 0.0005 Å
• b: 13.4649 ± 0.0008 Å
• c: 14.4358 ± 0.0008 Å
• α: 86.11 ± 0.004°
• β: 76.077 ± 0.003°
• γ: 72.024 ± 0.004°
• Cell volume: 1658.4 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0357
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No