Information card for entry 4113013

Structure parameters

• Formula: C29 H41 Cl2 N2 O2 Rh
• Calculated formula: C25.5 H37 Cl2 N2 O2 Rh
• Title of publication: Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure
• Authors of publication: Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12492 - 12502
• a: 20.69 ± 0.003 Å
• b: 8.419 ± 0.001 Å
• c: 16.06 ± 0.002 Å
• α: 90°
• β: 106.887 ± 0.002°
• γ: 90°
• Cell volume: 2676.8 ± 0.6 ų
• Cell temperature: 146.2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No