Information card for entry 4347088

Structure parameters

• Formula: C20 H15.5 F3 N3.5 O3 Pt S
• Calculated formula: C20 H15.5 F3 N3.5 O3 Pt S
• SMILES: c12[Pt]3([n]4ccccc4c1cccc2c1cccc[n]31)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-].C(#N)C
• Title of publication: Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.
• Authors of publication: Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3351 - 3363
• a: 31.767 ± 0.003 Å
• b: 15.8507 ± 0.0013 Å
• c: 19.337 ± 0.0016 Å
• α: 90°
• β: 122.124 ± 0.004°
• γ: 90°
• Cell volume: 8246 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No