Information card for entry 7028583

Structure parameters

• Formula: C54 H66 N6 O3 Pd2 S2
• Calculated formula: C54 H66 N6 O3 Pd2 S2
• 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: 10.2638 ± 0.001 Å
• b: 14.4107 ± 0.0014 Å
• c: 19.1385 ± 0.0016 Å
• α: 73.808 ± 0.003°
• β: 89.864 ± 0.004°
• γ: 73.765 ± 0.004°
• Cell volume: 2601.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No