Information card for entry 7713315

Structure parameters

• Formula: C16 H16 N2 Pt S4
• Calculated formula: C16 H16 N2 Pt S4
• SMILES: [Pt]12([n]3c(c4[n]2ccc(C)c4)cc(C)cc3)SC2=C(S1)SCCS2
• Title of publication: A new class of third-order nonlinear optical materials: laser pulse-duration dependant saturable absorption and nonlinear refraction in platinum(II) diimine-dithiolate complexes.
• Authors of publication: Pintus, Anna; Pilloni, Cristian; Pippia, Gabriele; Podda, Enrico; Carla Aragoni, M.; Lippolis, Vito; Aloukos, Panagiotis; Potamianos, Dionysios; Chazapis, Nikolaos; Couris, Stelios; Anyfantis, George C.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Arca, Massimiliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 10.451 ± 0.005 Å
• b: 21.309 ± 0.009 Å
• c: 8.335 ± 0.004 Å
• α: 90°
• β: 110.331 ± 0.016°
• γ: 90°
• Cell volume: 1740.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No