Information card for entry 4518121

Structure parameters

• Formula: C47 H45 Cl7 In2 N3 O2 P2 Rh
• Calculated formula: C47 H45 Cl7 In2 N3 O2 P2 Rh
• Title of publication: Rhodium-Catalyzed Chemoselective Hydrosilylation of Nitriles to an Imine Oxidation Level Enabled by a Pincer-type Group 13 Metallylene Ligand
• Authors of publication: Takaya, Jun; Ogawa, Koki; Nakaya, Ryota; Iwasawa, Nobuharu
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 12223 - 12228
• a: 12.4389 ± 0.0001 Å
• b: 13.5826 ± 0.0003 Å
• c: 15.0995 ± 0.0003 Å
• α: 83.4699 ± 0.0017°
• β: 80.9723 ± 0.0015°
• γ: 86.2699 ± 0.0013°
• Cell volume: 2500.25 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No