Information card for entry 7040160

Structure parameters

• Formula: C29 H35 Cl9 Ir N2 O3
• Calculated formula: C29 H35 Cl9 Ir N2 O3
• Title of publication: Mono and dimetallic pyrene-imidazolylidene complexes of iridium(iii) for the deuteration of organic substrates and the C-C coupling of alcohols.
• Authors of publication: Ibañez, S; Poyatos, M.; Peris, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14154 - 14159
• a: 13.241 ± 0.0005 Å
• b: 21.829 ± 0.0009 Å
• c: 13.3907 ± 0.0005 Å
• α: 90°
• β: 105.986 ± 0.004°
• γ: 90°
• Cell volume: 3720.7 ± 0.3 ų
• Cell temperature: 200 ± 0.4 K
• Ambient diffraction temperature: 200 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No