Information card for entry 7208739

Structure parameters

• Formula: C18 H22 Ag Cl F0 N2 O4 P0 S2
• Calculated formula: C18 H22 Ag Cl N2 O4 S2
• SMILES: [Ag]123([N]4(CC[S]2Cc2cc(C[S]3CC4)ccc2)Cc2[n]1cccc2)OCl(=O)(=O)=O
• Title of publication: Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes
• Authors of publication: Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6515
• a: 10.4455 ± 0.0004 Å
• b: 16.5989 ± 0.0007 Å
• c: 11.7361 ± 0.0005 Å
• α: 90°
• β: 92.14 ± 0.002°
• γ: 90°
• Cell volume: 2033.43 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1881
• 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: No