Information card for entry 4347988

Structure parameters

• Common name: SQ1
• Formula: C28 H29.5 N4 O8
• Calculated formula: C28 H29.5 N4 O8
• Title of publication: Toward "metalloMOFzymes": Metal-Organic Frameworks with Single-Site Metal Catalysts for Small-Molecule Transformations.
• Authors of publication: Cohen, Seth M.; Zhang, Zhenjie; Boissonnault, Jake A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7281 - 7290
• a: 6.989 ± 0.0001 Å
• b: 11.5447 ± 0.0002 Å
• c: 17.1361 ± 0.0003 Å
• α: 87.1034 ± 0.0013°
• β: 87.0287 ± 0.0014°
• γ: 73.1174 ± 0.0013°
• Cell volume: 1320.36 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No