Information card for entry 7021583

Structure parameters

• Formula: C38 H23 Cl10 D3 N3 Rh
• Calculated formula: C38 H23 Cl10 D3 N3 Rh
• 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: 12.7369 ± 0.0005 Å
• b: 20.9651 ± 0.0009 Å
• c: 15.5635 ± 0.0009 Å
• α: 90°
• β: 110.547 ± 0.014°
• γ: 90°
• Cell volume: 3891.5 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 2.047
• 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: Yes
• Has Fobs: No