Information card for entry 4085094

Structure parameters

• Formula: C37 H28 F6 N3 O2 P Pt
• Calculated formula: C37 H28 F6 N3 O2 P Pt
• SMILES: [Pt]12(c3c(c4[n]2cccc4)cccc3)[N](=C2C(=[N]1c1ccc(OC)cc1)c1cccc3cccc2c13)c1ccc(OC)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cationic Platinum(II) Complexes Bearing Aryl-BIAN Ligands: Synthesis and Structural and Optoelectronic Characterization
• Authors of publication: O’Brien, Cameron; Wong, Michael Yin; Cordes, David B.; Slawin, Alexandra M. Z.; Zysman-Colman, Eli
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 13
• a: 12.2526 ± 0.0012 Å
• b: 12.2779 ± 0.001 Å
• c: 12.701 ± 0.0016 Å
• α: 65.087 ± 0.007°
• β: 83.608 ± 0.01°
• γ: 65.577 ± 0.009°
• Cell volume: 1573.3 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No