Information card for entry 7122232

Structure parameters

• Formula: C55 H63 B Rh2 S2
• Calculated formula: C55 H63 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: 19.4748 ± 0.0009 Å
• b: 10.6687 ± 0.0004 Å
• c: 23.5138 ± 0.0011 Å
• α: 90°
• β: 106.023 ± 0.002°
• γ: 90°
• Cell volume: 4695.7 ± 0.4 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No