Information card for entry 7033065

Structure parameters

• Formula: C32 H37 Ag Cl4 F6 N4 O4
• Calculated formula: C32 H37 Ag Cl4 F6 N4 O4
• SMILES: [Ag]123([N]4(Cc5cc(F)cc(F)c5)C[C@@H]([NH]2[C@H](C)C[N]1(Cc1cc(F)cc(F)c1)CC[N]3(CC4)Cc1cc(F)cc(F)c1)C)OCl(=O)(=O)=O.ClC(Cl)Cl
• Title of publication: Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag(+).
• Authors of publication: Habata, Yoichi; Kizaki, Juli; Hosoi, Yasuhiro; Ikeda, Mari; Kuwahara, Shunsuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1170 - 1177
• a: 19.0094 ± 0.001 Å
• b: 9.2229 ± 0.0005 Å
• c: 22.745 ± 0.0012 Å
• α: 90°
• β: 113.513 ± 0.001°
• γ: 90°
• Cell volume: 3656.6 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0403
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No