Information card for entry 4350483

Structure parameters

• Formula: C50 H45 Cl5 F3 N O3 P2 Pd S
• Calculated formula: C50 H45 Cl5 F3 N O3 P2 Pd S
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2[n+](c(C)ccc2cc1)C.S(=O)(=O)([O-])C(F)(F)F.ClCCl.ClCCl
• Title of publication: Synthesis of the first rNHC (remote N-heterocyclic carbene) complexes with no heteroatom in the carbene carbon-containing ring.
• Authors of publication: Schuster, Oliver; Raubenheimer, Helgard G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 7997 - 7999
• a: 11.033 ± 0.003 Å
• b: 13.351 ± 0.004 Å
• c: 18.598 ± 0.005 Å
• α: 80.788 ± 0.005°
• β: 75.116 ± 0.005°
• γ: 72.122 ± 0.005°
• Cell volume: 2509.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No