Information card for entry 4105156

Structure parameters

• Formula: C31 H47 B N7 O2 Rh S
• Calculated formula: C31 H47 B N7 O2 Rh S
• Title of publication: Heterolytic Cleavage of Hydrogen Molecule by Rhodium Thiolate Complexes That Catalyze Chemoselective Hydrogenation of Imines under Ambient Conditions
• Authors of publication: Yoshiyuki Misumi; Hidetake Seino; Yasushi Mizobe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14636 - 14637
• a: 8.235 ± 0.002 Å
• b: 26.588 ± 0.006 Å
• c: 15.749 ± 0.004 Å
• α: 90°
• β: 101.539 ± 0.0011°
• γ: 90°
• Cell volume: 3378.6 ± 1.4 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113.1 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 significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No