Information card for entry 7102680

Structure parameters

• Formula: C52 H52 Ag2 N12 O8 S
• Calculated formula: C52 H52 Ag2 N12 O8 S
• SMILES: [O-]S(=O)(=O)[O-].[Ag]([n]1cccc(c1)NC(=O)Nc1ccc(cc1)C)[n]1cccc(c1)NC(=O)Nc1ccc(cc1)C.c1ccc(c[n]1[Ag][n]1cccc(c1)NC(=O)Nc1ccc(cc1)C)NC(=O)Nc1ccc(cc1)C
• Title of publication: A modular, self-assembled, separated ion pair binding system.
• Authors of publication: Turner, David R; Spencer, Elinor C; Howard, Judith A K; Tocher, Derek A; Steed, Jonathan W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1352 - 1353
• a: 17.4146 ± 0.0006 Å
• b: 17.4146 ± 0.0006 Å
• c: 8.2655 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2506.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No