Information card for entry 7124598

Structure parameters

• Common name: 6MAC_IrCODCl
• Formula: C29 H43 Cl Ir N O
• Calculated formula: C29 H43 Cl Ir N O
• Title of publication: A cyclic (alkyl)(amido)carbene: synthesis, study and utility as a desulfurization reagent.
• Authors of publication: McCarty, Zachary R.; Lastovickova, Dominika N.; Bielawski, Christopher W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5447 - 5450
• a: 15.8695 ± 0.0019 Å
• b: 11.8315 ± 0.0013 Å
• c: 14.6016 ± 0.0017 Å
• α: 90°
• β: 96.061 ± 0.003°
• γ: 90°
• Cell volume: 2726.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No