Information card for entry 4347086

Structure parameters

• Formula: C18 H14 F6 N3 P Pt
• Calculated formula: C18 H14 F6 N3 P Pt
• SMILES: c12[Pt]3([n]4ccccc4c1cccc2c1cccc[n]31)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• 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: 6.8452 ± 0.0011 Å
• b: 22.312 ± 0.003 Å
• c: 25.991 ± 0.004 Å
• α: 90°
• β: 91.037 ± 0.005°
• γ: 90°
• Cell volume: 3969 ± 1 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 2 K
• Number of distinct elements: 6
• 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: 0.114
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No