Information card for entry 4349125

Structure parameters

• Formula: C56 H60 Cl12 I6 N13 O9 Zn3
• Calculated formula: C56 H35 I6 N13 O Zn3
• 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: 28.0724 ± 0.0002 Å
• b: 14.00074 ± 0.00009 Å
• c: 44.7159 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17574.9 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No