Information card for entry 4089195

Structure parameters

• Formula: C74 H70 Cl8 F4 Ir2 N6 O6
• Calculated formula: C74 H70 Cl8 F4 Ir2 N6 O6
• Title of publication: Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands
• Authors of publication: Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 981
• a: 11.84 ± 0.0013 Å
• b: 13.0849 ± 0.0014 Å
• c: 13.3891 ± 0.0015 Å
• α: 103.492 ± 0.004°
• β: 97.036 ± 0.004°
• γ: 109.631 ± 0.004°
• Cell volume: 1853.6 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No