Information card for entry 4130614

Structure parameters

• Chemical name: pentamethylcyclopentadienylrhodium(III)phosphoramidatebarf
• Formula: C55 H48 B Cl2 F24 N O3 P Rh
• Calculated formula: C55 H48 B Cl2 F24 N O3 P Rh
• Title of publication: Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.
• Authors of publication: Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 27
• Pages of publication: 8396 - 8399
• a: 23.0081 ± 0.001 Å
• b: 20.1658 ± 0.0008 Å
• c: 12.8557 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5964.7 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No