Information card for entry 7056002

Structure parameters

• Formula: C24 H22 F12 N6 P2
• Calculated formula: C24 H22 F12 N6 P2
• SMILES: c1n(cc[n+]1c1ccccn1)Cc1ccc(Cn2c[n+](cc2)c2ccccn2)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 9.3697 ± 0.0007 Å
• b: 15.5486 ± 0.0013 Å
• c: 10.1656 ± 0.0008 Å
• α: 90°
• β: 102.268 ± 0.005°
• γ: 90°
• Cell volume: 1447.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No