Information card for entry 4132357

Structure parameters

• Formula: C52 H44 N5 O2 Rh
• Calculated formula: C52 H44 N5 O2 Rh
• Title of publication: Production of Formamides from CO and Amines Induced by Porphyrin Rhodium(II) Metalloradical.
• Authors of publication: Zhang, Jiajing; Zhang, Wentao; Xu, Minghui; Zhang, Yang; Fu, Xuefeng; Fang, Huayi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 21
• Pages of publication: 6656 - 6660
• a: 9.813 ± 0.002 Å
• b: 11.262 ± 0.002 Å
• c: 11.59 ± 0.002 Å
• α: 62.96 ± 0.03°
• β: 75.66 ± 0.03°
• γ: 68.08 ± 0.03°
• Cell volume: 1053.6 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No