Information card for entry 7030216

Structure parameters

• Formula: C47 H52 F12 N10 O2 P2 Pt2 S2
• Calculated formula: C47 H52 F12 N10 O2 P2 Pt2 S2
• SMILES: c1cccc2c3cccc4[n]3[Pt]([n]12)([n]1c4cccc1)Sc1nc(nc(n1)N(CCCC)CCCC)S[Pt]12[n]3ccccc3c3cccc([n]13)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)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: 19.593 ± 0.004 Å
• b: 27.255 ± 0.005 Å
• c: 13.952 ± 0.003 Å
• α: 90 ± 0.0004°
• β: 132.98 ± 0.0005°
• γ: 90 ± 0.0004°
• Cell volume: 5450.7 ± 1.9 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No