Information card for entry 4076569

Structure parameters

• Common name: 11168a
• Formula: C28 H27 Cr O2 P
• Calculated formula: C28 H27 Cr O2 P
• SMILES: [CrH]12345(C#[O])(C#[O])[c]6([cH]4[cH]3[cH]2[cH]16)CC[P]5(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts
• Authors of publication: Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2437
• a: 9.0587 ± 0.0008 Å
• b: 9.8346 ± 0.0009 Å
• c: 14.3299 ± 0.0013 Å
• α: 96.37 ± 0.001°
• β: 95.25 ± 0.001°
• γ: 112.138 ± 0.001°
• Cell volume: 1162.83 ± 0.18 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: 0.0343
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No