Information card for entry 4342209

Structure parameters

• Formula: C36 H44 F6 N11 P Pt
• Calculated formula: C36 H44 F6 N11 P Pt
• SMILES: CC#N.N#CC.N#CC.[Pt]12([n]3c(c4[n]1nn(c4)C14CC5CC(C1)CC(C4)C5)cccc3c1[n]2nn(c1)C12CC3CC(C2)CC(C1)C3)C#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.
• Authors of publication: Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1588 - 1596
• a: 19.6031 ± 0.0004 Å
• b: 13.6843 ± 0.0003 Å
• c: 29.6267 ± 0.0006 Å
• α: 90°
• β: 95.421 ± 0.001°
• γ: 90°
• Cell volume: 7912 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.087
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No