Information card for entry 7102679

Structure parameters

• Common name: dtag018
• Formula: C27 H26.67 Ag F3 N6 O5.33 S
• Calculated formula: C27 H26 Ag F3 N6 O5.33333 S
• 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: 7.1774 ± 0.0005 Å
• b: 16.793 ± 0.0015 Å
• c: 19.6054 ± 0.0018 Å
• α: 107.586 ± 0.003°
• β: 93.998 ± 0.003°
• γ: 91.066 ± 0.004°
• Cell volume: 2245.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No