Information card for entry 4334013

Structure parameters

• Formula: C44 H42 Cu F6 N4 O7 S2
• Calculated formula: C44 H42 Cu F6 N4 O7 S2
• SMILES: C(F)(F)(F)S(=O)(=O)O[Cu]123[N]4(CC[NH]1CC[N]2(Cc1ccc2c5c1ccc1c5c(cc2)ccc1)CC[NH]3CC4)Cc1ccc2c3c1ccc1cccc(c31)cc2.C(F)(F)(F)S(=O)(=O)[O-].O
• 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: 12.9581 ± 0.0008 Å
• b: 16.6195 ± 0.001 Å
• c: 20.052 ± 0.0011 Å
• α: 90°
• β: 108.536 ± 0.002°
• γ: 90°
• Cell volume: 4094.3 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0979
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No