Information card for entry 4087904

Structure parameters

• Formula: C66.5 H61 B Cl F24 Ir N6 O7
• Calculated formula: C66.5 H61 B Cl F24 Ir N6 O7
• Title of publication: Rhodium(I) and Iridium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Computational and Experimental Studies of Unusually Tilted NHC Coordination Geometries
• Authors of publication: Luy, Jan-Niclas; Hauser, Simone A.; Chaplin, Adrian B.; Tonner, Ralf
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5099
• a: 13.18759 ± 0.00016 Å
• b: 13.44313 ± 0.00019 Å
• c: 21.8724 ± 0.0003 Å
• α: 105.753 ± 0.0013°
• β: 101.398 ± 0.0012°
• γ: 93.5564 ± 0.0011°
• Cell volume: 3630.74 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No