Information card for entry 4338359

Structure parameters

• Formula: C72 H110 Cl2 Ir2 N4
• Calculated formula: C72 H110 Cl2 Ir2 N4
• Title of publication: Remarkable effect of iridium cyclometalation on the nonlinear absorption properties of a quadrupolar imine ligand.
• Authors of publication: Massue, Julien; Olesiak-Banska, Joanna; Jeanneau, Erwann; Aronica, Christophe; Matczyszyn, Katarzyna; Samoc, Marek; Monnereau, Cyrille; Andraud, Chantal
• Journal of publication: Inorganic chemistry
• Year of publication: 2013
• Journal volume: 52
• Journal issue: 19
• Pages of publication: 10705 - 10707
• a: 15.3241 ± 0.0009 Å
• b: 17.43 ± 0.001 Å
• c: 26.864 ± 0.002 Å
• α: 90°
• β: 98.303 ± 0.006°
• γ: 90°
• Cell volume: 7100.1 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1692
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections: 0.1694
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9925
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No