Information card for entry 7102678

Structure parameters

• Common name: DTAg005
• Formula: C27 H30 Ag N7 O6
• Calculated formula: C27 H27.7143 Ag N7 O6
• 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: 49.675 ± 0.004 Å
• b: 13.4895 ± 0.001 Å
• c: 33.477 ± 0.003 Å
• α: 90°
• β: 122.132 ± 0.007°
• γ: 90°
• Cell volume: 18996 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No