Information card for entry 7002024

Structure parameters

• Formula: C31 H35 Cl Ir N2 O2
• Calculated formula: C31 H35 Cl Ir N2 O2
• Title of publication: Investigation of the properties of 4,5-dialkylated N-heterocyclic carbenes
• Authors of publication: Urban, Slawomir; Tursky, Matyas; Fröhlich, Roland; Glorius, Frank
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6934
• a: 7.9293 ± 0.0001 Å
• b: 19.9537 ± 0.0003 Å
• c: 18.487 ± 0.0003 Å
• α: 90°
• β: 94.594 ± 0.001°
• γ: 90°
• Cell volume: 2915.6 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No