Information card for entry 7021584

Structure parameters

• Formula: C36.67 H31 Cl Ir N3 O2.33
• Calculated formula: C36.6667 H28.6667 Cl Ir N3 O2.33333
• Title of publication: Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies.
• Authors of publication: Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10388 - 10393
• a: 10.6873 ± 0.0011 Å
• b: 32.019 ± 0.004 Å
• c: 14.1789 ± 0.0019 Å
• α: 90°
• β: 104.476 ± 0.013°
• γ: 90°
• Cell volume: 4697.9 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 8
• Hermann-Mauguin space group symbol: I 1 m 1
• Hall space group symbol: I -2y
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No