Information card for entry 2226852

Structure parameters

• Chemical name: Tetrakis(4-cyanopyridine)palladium(II) bis(trifluoromethanesulfonate)
• Formula: C26 H16 F6 N8 O6 Pd S2
• Calculated formula: C26 H16 F6 N8 O6 Pd S2
• SMILES: [Pd]([n]1ccc(cc1)C#N)([n]1ccc(cc1)C#N)([n]1ccc(cc1)C#N)[n]1ccc(cc1)C#N.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Tetrakis(4-cyanopyridine)palladium(II) bis(trifluoromethanesulfonate)
• Authors of publication: Adrian, Rafael A.; Gonzalez, David M.; Tiekink, Edward R. T.; Walmsley, Judith A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m957 - m958
• a: 18.55 ± 0.004 Å
• b: 9.2993 ± 0.0019 Å
• c: 20.688 ± 0.004 Å
• α: 90°
• β: 114.55 ± 0.03°
• γ: 90°
• Cell volume: 3246.1 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes