Information card for entry 7020593

Structure parameters

• Formula: C31.5 H42 Cl3 Ir N3 O1.5
• Calculated formula: C31.5 H40.5 Cl3 Ir N3 O1.5
• Title of publication: Palladium, iridium and ruthenium complexes with acyclic imino-N-heterocyclic carbenes and their application in aqua-phase Suzuki-Miyaura cross-coupling reaction and transfer hydrogenation.
• Authors of publication: Guo, Xu-Qing; Wang, Ya-Nong; Wang, Dong; Cai, Li-Hua; Chen, Zhen-Xia; Hou, Xiu-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14557 - 14567
• a: 41.54 ± 0.03 Å
• b: 11.423 ± 0.005 Å
• c: 32.26 ± 0.02 Å
• α: 90°
• β: 113.6 ± 0.04°
• γ: 90°
• Cell volume: 14027 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No