Information card for entry 7003648

Structure parameters

• Formula: C55 H67 F12 N O2 P4 Pd2 S6
• Calculated formula: C55 H67 F12 N O2 P4 Pd2 S6
• 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: 27.83 ± 0.006 Å
• b: 11.056 ± 0.002 Å
• c: 21.087 ± 0.004 Å
• α: 90°
• β: 108.91 ± 0.03°
• γ: 90°
• Cell volume: 6138 ± 2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No