Information card for entry 7002608

Structure parameters

• Formula: C15 H16 F6 N4 O7 Pd S2
• Calculated formula: C15 H16 F6 N4 O7 Pd S2
• SMILES: [Pd](=c1n(cccc1C=O)C)([N]#CC)([N]#CC)[N]#CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Modular syntheses of chiral and achiral C,N-chelated Pd(ii)-pyridinylidenes
• Authors of publication: Strong, Elizabeth T. J.; Price, Jacquelyn T.; Jones, Nathan D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9123
• a: 7.8534 ± 0.0016 Å
• b: 8.9797 ± 0.0018 Å
• c: 17.407 ± 0.004 Å
• α: 80.77 ± 0.03°
• β: 77.31 ± 0.03°
• γ: 77.95 ± 0.03°
• Cell volume: 1162.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No