Information card for entry 4518019

Structure parameters

• Formula: C58 H48 Co2 N6 O18 S3
• Calculated formula: C58 H48 Co2 N6 O18 S3
• Title of publication: Development of Porous Cobalt/Copper-doped Carbon Nanohybrids Derived from Functionalized MOF as Efficient Catalysts for the Ullmann Cross-coupling Reaction: Insights into the Active Centers.
• Authors of publication: Esrafili, Leili; Morsali, Ali; Dehghani Firuzabadi, Fahimeh; Retailleau, Pascal
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 18.5098 ± 0.0003 Å
• b: 17.0448 ± 0.0003 Å
• c: 25.1287 ± 0.0005 Å
• α: 90°
• β: 92.677 ± 0.002°
• γ: 90°
• Cell volume: 7919.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No