Information card for entry 4335311

Structure parameters

• Formula: C53 H22 F18 N O14 Zn4
• Calculated formula: C53 H22 F18 N O14 Zn4
• Title of publication: Gas Storage in a Partially Fluorinated Highly Stable Three-Dimensional Porous Metal-Organic Framework
• Authors of publication: Atanu Santra; Irena Senkovska; Stefan Kaskel; Parimal K. Bharadwaj
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7358 - 7366
• a: 22.53 ± 0.005 Å
• b: 25.597 ± 0.005 Å
• c: 34.009 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.439 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 18712 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1408
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No