Information card for entry 4105720

Structure parameters

• Formula: C47 H31.2 Cl3 Cu2 F24 N5 O9.6
• Calculated formula: C44 H24 Cu2 F24 N4 O8
• Title of publication: Thixotropic Hydrogel Derived from a Product of an Organic Solid-State Synthesis: Properties and Densities of Metal-Organic Nanoparticles
• Authors of publication: Tamara D. Hamilton; Dejan-Krešimir Bučar; Jonas Baltrusaitis; Douglas R. Flanagan; Yingjian Li; Suman Ghorai; Alexei V. Tivanski; Leonard R. MacGillivray
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3365 - 3371
• a: 15.5534 ± 0.0016 Å
• b: 17.954 ± 0.0018 Å
• c: 20.918 ± 0.002 Å
• α: 90°
• β: 98.286 ± 0.005°
• γ: 90°
• Cell volume: 5780.3 ± 1 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2511
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No