Information card for entry 4122927

Structure parameters

• Formula: C42 H43 Cl2 N8 O3 Rh
• Calculated formula: C42 H43 Cl2 N8 O3 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: 9.4383 ± 0.0004 Å
• b: 25.4636 ± 0.001 Å
• c: 16.6094 ± 0.0006 Å
• α: 90°
• β: 96.746 ± 0.002°
• γ: 90°
• Cell volume: 3964.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No