Information card for entry 4135361

Structure parameters

• Formula: C184 H204 Cl24 N4 O32 Rh8
• Calculated formula: C184 H204 Cl24 N4 O32 Rh8
• 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: 15.6237 ± 0.0009 Å
• b: 17.2551 ± 0.0008 Å
• c: 19.6274 ± 0.0013 Å
• α: 111.577 ± 0.002°
• β: 94.521 ± 0.002°
• γ: 96.215 ± 0.002°
• Cell volume: 4851.2 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No