Information card for entry 7056000

Structure parameters

• Formula: C24 H22 F12 N6 P2
• Calculated formula: C24 H22 F12 N6 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c1(ccccn1)n1c[n+](Cc2c(cccc2)Cn2c[n+](c3ccccn3)cc2)cc1
• Title of publication: Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents
• Authors of publication: Jana, Barun; Ghosh, Pradyut
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 2131
• a: 14.145 ± 0.002 Å
• b: 10.0424 ± 0.0016 Å
• c: 19.296 ± 0.003 Å
• α: 90°
• β: 93.899 ± 0.004°
• γ: 90°
• Cell volume: 2734.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No