Information card for entry 7033601

Structure parameters

• Formula: C24 H18 F3 N5 Pt
• Calculated formula: C24 H18 F3 N5 Pt
• SMILES: [Pt]12(c3c(c4[n]2cccc4)cccc3)n2nc(cc2CN2C=1N(c1ccccc21)C)C(F)(F)F
• Title of publication: Bidentate NHC^pyrozolate ligands in luminescent platinum(ii) complexes.
• Authors of publication: Naziruddin, Abbas Raja; Galstyan, Anzhela; Iordache, Adriana; Daniliuc, Constantin G.; Strassert, Cristian A.; De Cola, Luisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8467 - 8477
• a: 11.2802 ± 0.0002 Å
• b: 17.2895 ± 0.0004 Å
• c: 11.0838 ± 0.0002 Å
• α: 90°
• β: 102.239 ± 0.001°
• γ: 90°
• Cell volume: 2112.53 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No