Information card for entry 7056003

Structure parameters

• Formula: C52 H46 Ag2 F12 N14 P2
• Calculated formula: C52 H46 Ag2 F12 N14 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].N#CC.[Ag](=C1N(C=CN1c1ccccn1)Cc1c(cccc1)CN1C(=[Ag]2)N(c3ncccc3)C=C1)=C1N(Cc3c(CN4C=2N(C=C4)c2ccccn2)cccc3)C=CN1c1ncccc1.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 24.526 ± 0.012 Å
• b: 18.137 ± 0.009 Å
• c: 14.803 ± 0.008 Å
• α: 90°
• β: 123.108 ± 0.007°
• γ: 90°
• Cell volume: 5516 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No