Information card for entry 4518122

Structure parameters

• Formula: C126 H110 Cl12 Ga4 N6 O3 P6 Rh2
• Calculated formula: C126 H110 Cl12 Ga4 N6 O3 P6 Rh2
• 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: 37.4179 ± 0.0001 Å
• b: 14.6854 ± 0.0001 Å
• c: 22.6886 ± 0.0001 Å
• α: 90°
• β: 90.5378 ± 0.0003°
• γ: 90°
• Cell volume: 12466.8 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No