Information card for entry 4132356

Structure parameters

• Formula: C72 H84 N5 O4 Rh
• Calculated formula: C72 H84 N5 O4 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: 10.43 ± 0.003 Å
• b: 11.159 ± 0.003 Å
• c: 13.768 ± 0.004 Å
• α: 93.224 ± 0.003°
• β: 99.919 ± 0.004°
• γ: 93.288 ± 0.005°
• Cell volume: 1572.3 ± 0.8 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: 0.0513
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No