Information card for entry 4518120

Structure parameters

• Formula: C88 H68 Cl14 Ga4 N8 P4 Rh2
• Calculated formula: C88 H68 Cl14 Ga4 N8 P4 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: 16.4861 ± 0.0002 Å
• b: 17.1218 ± 0.0002 Å
• c: 18.1159 ± 0.0002 Å
• α: 102.604 ± 0.001°
• β: 96.8135 ± 0.001°
• γ: 92.8749 ± 0.0009°
• Cell volume: 4939.85 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No