Information card for entry 4124560

Structure parameters

• Formula: C43.5 H62 B F3 N O3 P2 Rh
• Calculated formula: C43.5 H62 B F3 N O3 P2 Rh
• Title of publication: Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.
• Authors of publication: Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12321 - 12329
• a: 30.455 ± 0.002 Å
• b: 14.138 ± 0.0011 Å
• c: 21.072 ± 0.0016 Å
• α: 90°
• β: 90.724 ± 0.001°
• γ: 90°
• Cell volume: 9072.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.119
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No