Information card for entry 7015014

Structure parameters

• Formula: C22 H22 Cl Mo O6 P
• Calculated formula: C22 H22 Cl Mo O6 P
• SMILES: [Mo]([P@]1(Cl)[C@H](O[C@@]2([C@]1([C@H](C(=C2C)C)C)C)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Mo]([P@@]1(Cl)[C@@H](O[C@]2([C@@]1([C@@H](C(=C2C)C)C)C)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions
• Authors of publication: Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2654
• a: 17.3419 ± 0.0014 Å
• b: 9.871 ± 0.0009 Å
• c: 14.7056 ± 0.001 Å
• α: 90°
• β: 109.209 ± 0.005°
• γ: 90°
• Cell volume: 2377.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1124
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No