Information card for entry 7020418

Structure parameters

• Formula: C17.5 H14.5 Cl1.5 F3 N O2 Pt
• Calculated formula: C17.5 H14.5 Cl1.5 F3 N O2 Pt
• Title of publication: Phosphorescent, liquid-crystalline complexes of platinum(ii): influence of the β-diketonate co-ligand on mesomorphism and emission properties.
• Authors of publication: Spencer, Matthew; Santoro, Amedeo; Freeman, Gemma R.; Díez, Alvaro; Murray, Paul R.; Torroba, Javier; Whitwood, Adrian C.; Yellowlees, Lesley J.; Williams, J. A. Gareth; Bruce, Duncan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 47
• Pages of publication: 14244 - 14256
• a: 11.988 ± 0.002 Å
• b: 12.804 ± 0.0014 Å
• c: 13.095 ± 0.002 Å
• α: 86.305 ± 0.012°
• β: 69.598 ± 0.016°
• γ: 77.406 ± 0.012°
• Cell volume: 1838.4 ± 0.5 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 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: 0.0622
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No