Information card for entry 7122228

Structure parameters

• Formula: C60 H64 B Cl5 Rh2 S2
• Calculated formula: C60 H64 B Cl5 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: 11.8882 ± 0.0004 Å
• b: 13.8454 ± 0.0005 Å
• c: 17.6084 ± 0.0006 Å
• α: 88.5777 ± 0.0013°
• β: 76.6031 ± 0.0012°
• γ: 79.8761 ± 0.0012°
• Cell volume: 2775.14 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No