Information card for entry 7028581

Structure parameters

• Formula: C26 H27 N3 O2 Pt S
• Calculated formula: C26 H27 N3 O2 Pt S
• SMILES: [Pt]12(c3c(c4[n]1cccc4)ccc(c3)C=O)[S]=C(N=C(O2)c1ccccc1)N(CCC)CCC
• Title of publication: Luminescent liquid crystalline materials based on palladium(II) imine derivatives containing the 2-phenylpyridine core.
• Authors of publication: Micutz, Marin; Iliş, Monica; Staicu, Teodora; Dumitraşcu, Florea; Pasuk, Iuliana; Molard, Yann; Roisnel, Thierry; Cîrcu, Viorel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1151 - 1161
• a: 15.5741 ± 0.0003 Å
• b: 8.1729 ± 0.0001 Å
• c: 19.7272 ± 0.0003 Å
• α: 90°
• β: 109.11 ± 0.001°
• γ: 90°
• Cell volume: 2372.61 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No