Information card for entry 4127299

Structure parameters

• Formula: C33 H39 N Rh2
• Calculated formula: C33 H39 N Rh2
• SMILES: c12c3ccc[n]2[Rh]24567([c]89c1c(cc[cH]8[RhH]18%10%1179[c]7([c]1([c]8([c]%10([c]%117C)C)C)C)C)cc3)[c]1([c]2([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Hydrogenation of <i>N</i>-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters.
• Authors of publication: Kim, Sangmin; Loose, Florian; Bezdek, Máté J; Wang, Xiaoping; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 11.475 ± 0.0004 Å
• b: 13.8939 ± 0.0005 Å
• c: 16.9005 ± 0.0006 Å
• α: 90°
• β: 93.671 ± 0.001°
• γ: 90°
• Cell volume: 2688.96 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No