Information card for entry 7713946

Structure parameters

• Chemical name: DB-565
• Formula: C27 H24 Cr O5 P2
• Calculated formula: C27 H24 Cr O5 P2
• SMILES: [Cr](P([P+](C)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A novel access to phosphanylidene-phosphorane complexes via P-donor substitution and a detailed bonding analysis
• Authors of publication: Biskup, David; Schnakenburg, Gregor; Boeré, René; Espinosa Ferao, Arturo; Streubel, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.06234 ± 0.0002 Å
• b: 9.31754 ± 0.00023 Å
• c: 15.9532 ± 0.0003 Å
• α: 88.1908 ± 0.0019°
• β: 76.3409 ± 0.0017°
• γ: 70.233 ± 0.0018°
• Cell volume: 1230.12 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No