Information card for entry 4089193

Structure parameters

• Formula: C59 H48 Cl2 F8 Ir2 N10 O2
• Calculated formula: C59 H48 Cl2 F8 Ir2 N10 O2
• SMILES: [Ir]123([O]=C(N4[Ir]56([O]=C(N14)c1ccc(cc1)C(C)(C)C)([n]1n(c4c5cc(F)cc4F)ccc1)[n]1n(c4c6cc(F)cc4F)ccc1)c1ccc(cc1)C(C)(C)C)([n]1n(c4c2cc(F)cc4F)ccc1)[n]1n(c2c3cc(F)cc2F)ccc1.ClCCl
• 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: 12.8729 ± 0.0008 Å
• b: 17.6403 ± 0.0011 Å
• c: 27.5904 ± 0.0017 Å
• α: 101.874 ± 0.002°
• β: 90.127 ± 0.002°
• γ: 111.257 ± 0.002°
• Cell volume: 5693.8 ± 0.6 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: 0.0748
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No