Information card for entry 7003645

Structure parameters

• Formula: C17 H20 F6 N P Pd S3
• Calculated formula: C17 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: 11.958 ± 0.002 Å
• b: 12.112 ± 0.002 Å
• c: 28.019 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4058.1 ± 1.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.313
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No