Information card for entry 7030215

Structure parameters

• Formula: C47 H51 F12 N9 O2 P2 Pt2 S3
• Calculated formula: C47 H51 F12 N9 O2 P2 Pt2 S3
• SMILES: [Pt]12(Sc3nc(S[Pt]45[n]6ccccc6c6[n]4c(ccc6)c4cccc[n]54)nc(SCCCCCCCC)n3)[n]3ccccc3c3[n]1c(ccc3)c1cccc[n]21.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(=O)C.CC(=O)C
• Title of publication: Terpyridine platinum(II) complexes containing triazine di- or tri-thiolate bridges: structures, luminescence, electrochemistry, and aggregation.
• Authors of publication: Zhang, Hua-Xin; Kato, Masako; Sasaki, Yoichi; Ohba, Tadashi; Ito, Hiroto; Kobayashi, Atsushi; Chang, Ho-Chol; Uosaki, Kohei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11497 - 11506
• a: 12.4758 ± 0.0005 Å
• b: 14.6309 ± 0.0008 Å
• c: 15.8966 ± 0.0007 Å
• α: 100.57 ± 0.0016°
• β: 93.8369 ± 0.0015°
• γ: 106.906 ± 0.0018°
• Cell volume: 2706.7 ± 0.2 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No