Information card for entry 7026692

Structure parameters

• Formula: C56 H32 Cl9 F8 Ir2 N4 O4
• Calculated formula: C56 H32 Cl9 F8 Ir2 N4 O4
• SMILES: Fc1cc(cc2c3[n]([Ir]4([n]5c6ccccc6oc5c5cc(F)cc(c45)F)([Cl][Ir]45([n]6c7ccccc7oc6c6cc(F)cc(F)c46)[n]4c6ccccc6oc4c4cc(F)cc(F)c54)c12)c1ccccc1o3)F.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl
• Title of publication: An 18+δ iridium dimer releasing metalloradicals spontaneously.
• Authors of publication: Chen, Tsun-Ren; Lee, Hsiu-Pen; Chen, Jhy-Der; Chen, Kelvin H.-C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9458 - 9461
• a: 21.8706 ± 0.0004 Å
• b: 14.4783 ± 0.0003 Å
• c: 16.9835 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5377.81 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No