Information card for entry 7020419

Structure parameters

• Formula: C36 H47 N O4 Pt
• Calculated formula: C36 H47 N O4 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: 13.1603 ± 0.0011 Å
• b: 12.8623 ± 0.0011 Å
• c: 38.458 ± 0.003 Å
• α: 90°
• β: 93.993 ± 0.002°
• γ: 90°
• Cell volume: 6494 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No