Information card for entry 4122924

Structure parameters

• Formula: C47 H48 Cl2 N5 O5 Rh
• Calculated formula: C47 H48 Cl2 N5 O5 Rh
• Title of publication: An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.
• Authors of publication: Komor, Alexis C.; Barton, Jacqueline K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14160
• a: 10.7782 ± 0.0006 Å
• b: 12.1739 ± 0.0006 Å
• c: 17.5944 ± 0.001 Å
• α: 72.345 ± 0.003°
• β: 89.877 ± 0.003°
• γ: 80.812 ± 0.003°
• Cell volume: 2169 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No