Information card for entry 7109910

Structure parameters

• Formula: C23 H32.5 B9 N2 P Rh S
• Calculated formula: C23 H32.5 B9 N2 P Rh S
• Title of publication: Heterolytic H2 activation on a carbene-ligated rhodathiaborane promoted by isonido-nido cage opening
• Authors of publication: Beatriz Calvo; Ramon Macias; Victor Polo; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9863
• a: 12.565 ± 0.005 Å
• b: 18.761 ± 0.007 Å
• c: 13.508 ± 0.005 Å
• α: 90°
• β: 117.716 ± 0.001°
• γ: 90°
• Cell volume: 2818.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No