Information card for entry 7122236

Structure parameters

• Formula: C61 H67 B Cl4 Rh2 S2
• Calculated formula: C61 H67 B Cl4 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: 11.8737 ± 0.0005 Å
• b: 13.8883 ± 0.0006 Å
• c: 17.6708 ± 0.0008 Å
• α: 88.3611 ± 0.0014°
• β: 76.5046 ± 0.0013°
• γ: 80.2492 ± 0.0013°
• Cell volume: 2792.4 ± 0.2 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: 0.0363
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No