Information card for entry 4118493

Structure parameters

• Common name: ZnTTFTB
• Formula: C41.59 H38.99 N1.9 O12.85 S4 Zn2
• Calculated formula: C41.592 H38.984 N1.896 O12.848 S4 Zn2
• Title of publication: High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal-Organic Framework
• Authors of publication: Tarun C. Narayan; Tomoyo Miyakai; Shu Seki; Mircea Dincă
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12932 - 12935
• a: 19.293 ± 0.003 Å
• b: 19.293 ± 0.003 Å
• c: 20.838 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6717.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No