Information card for entry 7003650

Structure parameters

• Formula: C27 H33 Cl F6 P2 Pd S3
• Calculated formula: C27 H33 Cl F6 P2 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: 8.1919 ± 0.0016 Å
• b: 18.529 ± 0.004 Å
• c: 22.595 ± 0.005 Å
• α: 90°
• β: 91.63 ± 0.03°
• γ: 90°
• Cell volume: 3428.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No