Information card for entry 7015005

Structure parameters

• Formula: C20 H25 Cr O6 P
• Calculated formula: C20 H25 Cr O6 P
• SMILES: C1(C(=C(C(=C1C)C)C)C)(C)[P]1(C(C(C)(C)C)O1)[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: 8.7299 ± 0.0004 Å
• b: 10.5893 ± 0.0005 Å
• c: 11.8257 ± 0.0006 Å
• α: 85.069 ± 0.003°
• β: 83.532 ± 0.003°
• γ: 89.728 ± 0.003°
• Cell volume: 1082.22 ± 0.09 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: 0.0765
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No