Information card for entry 7021582

Structure parameters

• Chemical name: 1,3-Bis(1-isoquinolyl)benzene
• Formula: C24 H16 N2
• Calculated formula: C24 H16 N2
• SMILES: c1(cc(ccc1)c1c2ccccc2ccn1)c1c2c(cccc2)ccn1
• 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: 8.6722 ± 0.0015 Å
• b: 24.417 ± 0.004 Å
• c: 3.9321 ± 0.0006 Å
• α: 90°
• β: 103.73 ± 0.04°
• γ: 90°
• Cell volume: 808.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No