Information card for entry 7122229

Structure parameters

• Formula: C52 H57 B Rh2 S2
• Calculated formula: C52 H57 B Rh2 S2
• Title of publication: Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H₂.
• Authors of publication: Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 79
• Pages of publication: 11112 - 11115
• a: 10.9219 ± 0.0005 Å
• b: 13.2492 ± 0.0006 Å
• c: 17.0937 ± 0.0008 Å
• α: 106.757 ± 0.0014°
• β: 95.401 ± 0.0015°
• γ: 108.677 ± 0.0013°
• Cell volume: 2195.9 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No