Information card for entry 7012809

Structure parameters

• Formula: C18 H14 F6 N5 P Pt S2
• Calculated formula: C18 H14 F6 N5 P Pt S2
• SMILES: [Pt]12(Sc3sc(nn3)C)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Monodentate and bridging coordination of 2,5-dimercapto-1,3,4-thiadiazolate to a (2,2':6',2''-terpyridine)platinum(II) center
• Authors of publication: Tannai, Hidenori; Tsuge, Kiyoshi; Sasaki, Yoichi; Hatozaki, Osamu; Oyama, Noboru
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2353 - 2358
• a: 11.269 ± 0.004 Å
• b: 16.431 ± 0.005 Å
• c: 11.7746 ± 0.0005 Å
• α: 90°
• β: 92.19 ± 0.01°
• γ: 90°
• Cell volume: 2178.6 ± 1 ų
• Cell temperature: 296 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 2.198
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No