Information card for entry 7003646

Structure parameters

• Formula: C19 H20 F6 N P Pd S3
• Calculated formula: C19 H20 F6 N P Pd S3
• Title of publication: Cyclometallated Pt(ii) and Pd(ii) complexes with a trithiacrown ligand
• Authors of publication: Janzen, Daron E.; VanDerveer, Donald G.; Mehne, Larry F.; da Silva Filho, Demétrio A.; Brédas, Jean-Luc; Grant, Gregory J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1872 - 1882
• a: 6.7612 ± 0.0014 Å
• b: 10.211 ± 0.002 Å
• c: 15.738 ± 0.003 Å
• α: 91.67 ± 0.03°
• β: 101.17 ± 0.03°
• γ: 96.64 ± 0.03°
• Cell volume: 1057.3 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No