Information card for entry 7021191

Structure parameters

• Formula: C64 H43 Cl2 F4 N P2 Pd S
• Calculated formula: C64 H43 Cl2 F4 N P2 Pd S
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)c1ccc2c3c1cccc3c1c3c2cccc3ccc1)F)F)N=C=S.C(Cl)Cl
• Title of publication: Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group.
• Authors of publication: Lentijo, Sergio; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6353 - 6365
• a: 11.526 ± 0.003 Å
• b: 12.499 ± 0.004 Å
• c: 20.347 ± 0.006 Å
• α: 78.327 ± 0.006°
• β: 80.155 ± 0.006°
• γ: 70.918 ± 0.006°
• Cell volume: 2695.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No