Information card for entry 7015006

Structure parameters

• Formula: C16 H27 Cr O6 P Si2
• Calculated formula: C16 H27 Cr O6 P Si2
• SMILES: C1(C(C)C)O[P]1(C([Si](C)(C)C)[Si](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: 9.2872 ± 0.0003 Å
• b: 18.4261 ± 0.0008 Å
• c: 13.4718 ± 0.0004 Å
• α: 90°
• β: 91.258 ± 0.002°
• γ: 90°
• Cell volume: 2304.83 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No