Information card for entry 4346444

Structure parameters

• Common name: Compound 4
• Formula: C46 H58 N2 O8 Rh2
• Calculated formula: C46 H58 N2 O8 Rh2
• Title of publication: Axial Ligand Coordination to the C-H Amination Catalyst Rh2(esp)2: A Structural and Spectroscopic Study.
• Authors of publication: Warzecha, Evan; Berto, Timothy C.; Berry, John F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8817 - 8824
• a: 10.828 ± 0.003 Å
• b: 11.342 ± 0.003 Å
• c: 18.18 ± 0.004 Å
• α: 83.808 ± 0.011°
• β: 85.788 ± 0.009°
• γ: 77.087 ± 0.009°
• Cell volume: 2160.7 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.043
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No