Information card for entry 1558501

Structure parameters

• Formula: C18 H13.5 B Cu F4 N6 O0.75
• Calculated formula: C18 H13.5 B Cu F3.999 N6 O0.75
• Title of publication: Unexpected Selective Gas Adsorption on a ‘Non-Porous’ Metal Organic Framework
• Authors of publication: Beveridge, Stuart; McAnally, Craig A.; Nichol, Gary S.; Kennedy, Alan R.; Cussen, Edmund J.; Fletcher, Ashleigh J.
• Journal of publication: Crystals
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 548
• a: 19.6546 ± 0.0008 Å
• b: 17.9133 ± 0.0006 Å
• c: 24.0581 ± 0.0011 Å
• α: 90°
• β: 112.816 ± 0.005°
• γ: 90°
• Cell volume: 7807.6 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No