Information card for entry 4349124

Structure parameters

• Formula: C7.13 H7.88 N O2.69 Zn0.5
• Calculated formula: C6.16 H1.25 N0.75 O2.44 Zn0.5
• Title of publication: Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.
• Authors of publication: Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 10839 - 10842
• a: 13.9532 ± 0.0006 Å
• b: 16.6496 ± 0.0005 Å
• c: 9.5586 ± 0.0003 Å
• α: 90°
• β: 100.526 ± 0.003°
• γ: 90°
• Cell volume: 2183.24 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No