Information card for entry 7111145

Structure parameters

• Formula: C69 H69 Ag8 O34 S8
• Calculated formula: C69 H43 Ag8 O34 S8
• Title of publication: Design, synthesis and structural investigation of a 2-D coordination network based on the self-assembly of the tetracarboxylate derivative of tetrathiacalix[4]arene and silver cation
• Authors of publication: Akdas, Huriye; Graf, Ernest; Hosseini, Mir Wais; De Cian, André; Harrowfield, Jack McB.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2219
• a: 16.6647 ± 0.0006 Å
• b: 24.7585 ± 0.0005 Å
• c: 19.9024 ± 0.0007 Å
• α: 90°
• β: 91.224 ± 0.005°
• γ: 90°
• Cell volume: 8209.7 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.191
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.487
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections: 38.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No