Information card for entry 7117818

Structure parameters

• Formula: C25 H47 B N O3 P2 Rh
• Calculated formula: C25 H47 B N O3 P2 Rh
• SMILES: C(C)[P](CC)(CC)[Rh](C#[O])(N(c1ccccc1)B1OC(C(C)(C)O1)(C)C)[P](CC)(CC)CC
• Title of publication: Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex
• Authors of publication: Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14613
• a: 9.0037 ± 0.0011 Å
• b: 11.2268 ± 0.0013 Å
• c: 15.1421 ± 0.0016 Å
• α: 83.982 ± 0.005°
• β: 80.95 ± 0.004°
• γ: 82.455 ± 0.005°
• Cell volume: 1492.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No