Information card for entry 4348923

Structure parameters

• Formula: C42 H46 B N O2 Pt S
• Calculated formula: C42 H46 B N O2 Pt S
• SMILES: [Pt]12(c3c(c4cccc[n]14)scc3)OC(=C(c1c(C)c(c(B(c3c(C)cc(cc3C)C)c3c(cc(cc3C)C)C)c(C)c1C)C)C(=[O]2)C)C
• Title of publication: Tuning the Phosphorescence and Solid State Luminescence of Triarylborane-Functionalized Acetylacetonato Platinum Complexes.
• Authors of publication: Rajendra Kumar, George; Thilagar, Pakkirisamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12220 - 12229
• a: 11.901 ± 0.005 Å
• b: 22.056 ± 0.009 Å
• c: 15.274 ± 0.006 Å
• α: 90°
• β: 111.977 ± 0.011°
• γ: 90°
• Cell volume: 3718 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No