Information card for entry 4086007

Structure parameters

• Formula: C130 H131 Ag4 F24 N21 P4
• Calculated formula: C130 H131 Ag4 F24 N21 P4
• SMILES: [Ag]1=C2N(CCN3Cc4c5c(c(CN(CCN6C=CN(Cc7ccccc7)C6=[Ag]=C6N(CCN7Cc8c9c(c(CN(CCN%10C=CN(Cc%11ccccc%11)C%10=[Ag]=C%10N(CC7)C=CN%10Cc7ccccc7)CCN7=CCN(C=17)Cc1ccccc1)c1c8cccc1)cccc9)C=CN6Cc1ccccc1)CCN1C=CN(C1=[Ag]=C1N(CC3)C=CN1Cc1ccccc1)Cc1ccccc1)c1c4cccc1)cccc5)C=CN2Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions
• Authors of publication: Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3167
• a: 17.5804 ± 0.0018 Å
• b: 35.051 ± 0.004 Å
• c: 23.265 ± 0.002 Å
• α: 90°
• β: 99.125 ± 0.002°
• γ: 90°
• Cell volume: 14155 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.086
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No