Information card for entry 7015004

Structure parameters

• Formula: C22 H21 Cr O6 P
• Calculated formula: C22 H21 Cr O6 P
• SMILES: C1(c2ccccc2)O[P]1(C1(C(=C(C(=C1C)C)C)C)C)[Cr](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: 9.5334 ± 0.0003 Å
• b: 10.1367 ± 0.0004 Å
• c: 13.1037 ± 0.0005 Å
• α: 101.172 ± 0.002°
• β: 110.283 ± 0.002°
• γ: 102.683 ± 0.002°
• Cell volume: 1107.27 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0403
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No