Information card for entry 7118618

Structure parameters

• Formula: C72 H90 N7 O2 Rh
• Calculated formula: C72 H90 N7 O2 Rh
• Title of publication: A rhodium(i)-oxygen adduct as a selective catalyst for one-pot sequential alkyne dimerization-hydrothiolation tandem reactions.
• Authors of publication: Kleinhans, George; Guisado-Barrios, Gregorio; Liles, David C.; Bertrand, Guy; Bezuidenhout, Daniela I.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 17
• Pages of publication: 3504 - 3507
• a: 10.8323 ± 0.0005 Å
• b: 15.4988 ± 0.0008 Å
• c: 24.841 ± 0.0013 Å
• α: 103.448 ± 0.0014°
• β: 97.059 ± 0.0013°
• γ: 107.037 ± 0.0013°
• Cell volume: 3795.4 ± 0.3 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.1086
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No