Information card for entry 4334010

Structure parameters

• Formula: C44 H44 Ag F3 N4 O4 S
• Calculated formula: C44 H42 Ag F3 N4 O4 S
• SMILES: c12c3c4c(ccc3ccc2)ccc(C[N]23[Ag]567[CH]8c9c%10c(ccc9C[N]6(CC[NH]7CC2)CC[NH]5CC3)ccc2cccc(c%102)C=8)c4cc1.OC.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution
• Authors of publication: Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2542 - 2549
• a: 19.473 ± 0.002 Å
• b: 16.4227 ± 0.0017 Å
• c: 14.1119 ± 0.0015 Å
• α: 90°
• β: 117.169 ± 0.002°
• γ: 90°
• Cell volume: 4015 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No