Information card for entry 7056004

Structure parameters

• Formula: C52 H46 Ag2 F12 N14 P2
• Calculated formula: C52 H46 Ag2 F12 N14 P2
• 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: 13.9881 ± 0.0017 Å
• b: 24.815 ± 0.003 Å
• c: 15.5816 ± 0.0018 Å
• α: 90°
• β: 90.367 ± 0.003°
• γ: 90°
• Cell volume: 5408.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1855
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.2601
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No