Information card for entry 2241863

Structure parameters

• Chemical name: Bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-κ^2^<i>N</i>,<i>N</i>')silver(I) trifluoromethanesulfonate
• Formula: C53 H32 Ag F3 N4 O3 S
• Calculated formula: C53 H32 Ag F3 N4 O3 S
• SMILES: [Ag]12([n]3c4c([N]1=Cc1c5c6c7c(cc5)cccc7ccc6cc1)cccc4ccc3)[n]1c3c(ccc1)cccc3[N]2=Cc1c2c3c4c(cc2)cccc4ccc3cc1.[O-]S(=O)(=O)C(F)(F)F
• Title of publication: Synthesis and crystal structure of bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-κ^2^<i>N</i>,<i>N</i>')silver(I) trifluoromethanesulfonate
• Authors of publication: Pinto, Miguel; Chakraborty, Indranil; Mascharak, Pradip
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1495 - 1498
• a: 17.132 ± 0.001 Å
• b: 13.6108 ± 0.0008 Å
• c: 18.9712 ± 0.0011 Å
• α: 90°
• β: 110.887 ± 0.001°
• γ: 90°
• Cell volume: 4133 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• 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: 0.111
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes