Information card for entry 7028582

Structure parameters

• Formula: C29 H38 Cl4 N2 O2 Pt S
• Calculated formula: C29 H38 Cl4 N2 O2 Pt S
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)[n]1ccccc1c1ccc(cc1)/C=N/c1ccc(cc1)OCCCCCCCC.C(Cl)Cl
• 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: 7.4355 ± 0.0009 Å
• b: 8.2355 ± 0.001 Å
• c: 26.969 ± 0.003 Å
• α: 94.842 ± 0.005°
• β: 92.304 ± 0.005°
• γ: 104.881 ± 0.005°
• Cell volume: 1587.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No