Information card for entry 4513543

Structure parameters

• Formula: C29 H12 Ag F3 N4 O3.45 S7
• Calculated formula: C29 H12 Ag F3 N4 O3.47 S7
• Title of publication: Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations
• Authors of publication: Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4377
• a: 12.7731 ± 0.0013 Å
• b: 29.872 ± 0.003 Å
• c: 33.792 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12894 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.475
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No