Information card for entry 4089192

Structure parameters

• Formula: C58 H46 F8 Ir2 N10 O2
• Calculated formula: C58 H46 F8 Ir2 N10 O2
• SMILES: O1C(c2ccc(cc2)C(C)(C)C)=[N]2[N]([Ir]341([n]1n(c5c3cc(F)cc5F)ccc1)[n]1n(c3c4cc(F)cc3F)ccc1)=C(O[Ir]132([n]2n(c4c1cc(F)cc4F)ccc2)[n]1n(c2c3cc(F)cc2F)ccc1)c1ccc(cc1)C(C)(C)C
• 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: 9.6743 ± 0.0006 Å
• b: 11.979 ± 0.0008 Å
• c: 12.1095 ± 0.0008 Å
• α: 89.1907 ± 0.0018°
• β: 79.7249 ± 0.0018°
• γ: 72.8004 ± 0.0018°
• Cell volume: 1317.98 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1447
• 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: No
• Has Fobs: No