Information card for entry 4078211

Structure parameters

• Formula: C50 H40 Ag2 F12 N12 P2
• Calculated formula: C50 H40 Ag2 F12 N12 P2
• SMILES: c1(ccc(cn1)CN1C=CN2C1=[Ag]1[n]3c(c4[n]1cc(CN1C=CN(Cc5ccc(c6ccccn6)nc5)C1=[Ag]1[n]5c(c6[n]1cc(C2)cc6)cccc5)cc4)cccc3)c1ccccn1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Homometallic Silver(I) Complexes of a Heterotopic NHC-Bridged Bis-Bipyridine Ligand
• Authors of publication: Cui, Fengjuan; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3512
• a: 12.898 ± 0.003 Å
• b: 8.587 ± 0.002 Å
• c: 24.578 ± 0.005 Å
• α: 90°
• β: 109.296 ± 0.01°
• γ: 90°
• Cell volume: 2569.2 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No