Information card for entry 4122926

Structure parameters

• Formula: C46 H47 Cl2 N6 O5 Rh
• Calculated formula: C45.998 H46.994 Cl2 N6 O4.999 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: 9.6145 ± 0.0008 Å
• b: 15.7645 ± 0.0013 Å
• c: 16.8583 ± 0.0014 Å
• α: 64.434 ± 0.004°
• β: 85.049 ± 0.004°
• γ: 73.491 ± 0.004°
• Cell volume: 2208 ± 0.3 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: 0.0468
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No