Information card for entry 7011061

Structure parameters

• Formula: C22 H14 Cl F9 N3 Pt Sb
• Calculated formula: C22 H14 Cl F9 N3 Pt Sb
• SMILES: [Pt]12(Cl)[n]3ccccc3c3cc(cc([n]13)c1cccc[n]21)c1ccccc1C(F)(F)F.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Tuning solid emission by salts of the [Pt{4'-(o-CH3‒Ph)trpy}Cl]+ and [Pt{4'-(o-CF3‒Ph)trpy}Cl]+ luminophores: crystal structures of [Pt{4'-(o-CH3‒Ph)trpy}Cl]A (A = BF4 or SbF6) and [Pt{4'-(o-CF3‒Ph)trpy}Cl]SbF6 (trpy = 2,2':6',2″-terpyridine)
• Authors of publication: John S. Field; Raymond J. Haines; David R. McMillin; Grant C. Summerton
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1369 - 1376
• a: 6.93 ± 0.02 Å
• b: 20.114 ± 0.005 Å
• c: 17.979 ± 0.002 Å
• α: 90°
• β: 100.75 ± 0.005°
• γ: 90°
• Cell volume: 2462 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No