Information card for entry 4302621

Structure parameters

• Formula: C22 H24 Cl Ir N2
• Calculated formula: C22 H24 Cl Ir N2
• SMILES: [Ir]123(Cl)(=C4N(c5ccccc5N4C)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Bimetallic N-Heterocyclic Carbene-Iridium Complexes: Investigating Metal-Metal and Metal-Ligand Communication via Electrochemistry and Phosphorescence Spectroscopy
• Authors of publication: Andrew G. Tennyson; Evelyn L. Rosen; Mary S. Collins; Vincent M. Lynch; Christopher W. Bielawski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6924 - 6933
• a: 7.926 ± 0.0003 Å
• b: 13.4276 ± 0.0006 Å
• c: 17.6468 ± 0.001 Å
• α: 90°
• β: 90.648 ± 0.002°
• γ: 90°
• Cell volume: 1877.98 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0202
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No