Information card for entry 7055716

Structure parameters

• Formula: C14 H20 N4 Pt S6
• Calculated formula: C14 H20 N4 Pt S6
• SMILES: [Pt]12(SC3=C(N(C(=S)N3CC)CC)S1)SC1=C(N(C(=S)N1CC)CC)S2
• Title of publication: Structural tailoring of the NIR-absorption of bis(1,2-dichalcogenolene) Ni/Pt electrochromophores deriving from 1,3-dimethyl-2-chalcogenoxo-imidazoline-4,5-dichalcogenolates
• Authors of publication: Deiana, Carlo; Carla Aragoni, M.; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Slawin, Alexandra M. Z.; Derek Woollins, J.; Arca, Massimiliano
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 8206
• a: 9.505 ± 0.003 Å
• b: 5.3533 ± 0.0016 Å
• c: 19.925 ± 0.006 Å
• α: 90°
• β: 93.847 ± 0.009°
• γ: 90°
• Cell volume: 1011.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No