Information card for entry 7106341

Structure parameters

• Formula: C45 H29 Ir2 N5
• Calculated formula: C45 H29 Ir2 N5
• SMILES: [Ir]123([Ir]4([n]5c(c6c4cccc6)ccc4ccccc54)([N]#N)c4cccc5ccc([n]1c45)c1ccccc31)[n]1c(c3c2cccc3)ccc2ccccc12
• Title of publication: A novel photoluminescent dinuclear phenylquinolyl Ir(II)-Ir(II) complex featuring a m: e1, e2 phenylquinolyl bridge and a head-on dinitrogen ligand
• Authors of publication: Wei Yang; Songlin Zhang; Yuqiang Ding; Li Shi; Qijun Song
• Journal of publication: Chemical Communications
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 5310 - 5311
• a: 16.527 ± 0.003 Å
• b: 19.835 ± 0.004 Å
• c: 11.011 ± 0.002 Å
• α: 90°
• β: 103.64 ± 0.003°
• γ: 90°
• Cell volume: 3507.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No