Information card for entry 2227825

Structure parameters

• Chemical name: [(1,2,5,6-η)-1,5-Cyclooctadiene](1-isopropyl-3-methylimidazolin-2- ylidene)(triphenylphosphine)iridium(I) tetrafluoridoborate dichloromethane solvate
• Formula: C34 H41 B Cl2 F4 Ir N2 P
• Calculated formula: C34 H41 B Cl2 F4 Ir N2 P
• Title of publication: [(1,2,5,6-η)-1,5-Cyclooctadiene](1-isopropyl-3-methylimidazolin-2-ylidene)(triphenylphosphine)iridium(I) tetrafluoridoborate dichloromethane solvate
• Authors of publication: Nichol, Gary S.; Stasiw, Daniel; Anna, Laura J.; Rajaseelan, Edward
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1114
• a: 36.3039 ± 0.0016 Å
• b: 10.4913 ± 0.0005 Å
• c: 18.3924 ± 0.0008 Å
• α: 90°
• β: 103.452 ± 0.002°
• γ: 90°
• Cell volume: 6813 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes