Information card for entry 4130139

Structure parameters

• Formula: C33 H17 F4 Ir N2 O4
• Calculated formula: C33 H17 F4 Ir N2 O4
• SMILES: [Ir]123([O]=C(O1)c1ccccc1)([n]1c4ccccc4oc1c1cc(F)cc(F)c21)[n]1c2ccccc2oc1c1cc(F)cc(F)c31
• Title of publication: Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.
• Authors of publication: Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 11
• Pages of publication: 3643 - 3646
• a: 15.8657 ± 0.0017 Å
• b: 20.21 ± 0.002 Å
• c: 8.2946 ± 0.0008 Å
• α: 90°
• β: 102.559 ± 0.004°
• γ: 90°
• Cell volume: 2596 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No