Information card for entry 4135363

Structure parameters

• Formula: C58 H60 Cl6 N4.28 O8 Rh2
• Calculated formula: C58 H60 Cl6 N4.276 O8 Rh2
• Title of publication: <i>In Crystallo</i> Snapshots of Rh₂-Catalyzed C-H Amination.
• Authors of publication: Das, Anuvab; Wang, Chen-Hao; Van Trieste, 3rd, Gerard P; Sun, Cheng-Jun; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 47
• Pages of publication: 19862 - 19867
• a: 12.961 ± 0.002 Å
• b: 12.909 ± 0.002 Å
• c: 18.381 ± 0.003 Å
• α: 90°
• β: 100.334 ± 0.002°
• γ: 90°
• Cell volume: 3025.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No