Information card for entry 4126414

Structure parameters

• Formula: C9.69 H8.32 N7.43 O2.86 S0.09 Zn1.5
• Calculated formula: C9.693 H8.32575 N7.43025 O2.8605 S0.0945 Zn1.5
• Title of publication: Bistable Dithienylethene-Based Metal-Organic Framework Illustrating Optically Induced Changes in Chemical Separations.
• Authors of publication: Furlong, Brandon J.; Katz, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 27.2188 ± 0.0005 Å
• b: 27.2188 ± 0.0005 Å
• c: 17.0357 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10930.2 ± 0.6 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections: 0.1974
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0152
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No