Information card for entry 7044463

Structure parameters

• Formula: C46 H42 Co N4 O16
• Calculated formula: C46 H42 Co N4 O16
• Title of publication: Catalytic Properties of a Cobalt Metal-Organic Framework with a Zwitterionic Ligand Synthesized In Situ
• Authors of publication: Grigolo, Thiago Augusto; Denofre, Silvia; Manarin, Flavia G.; Botteselle, Giancarlo; Amaral, Alexandra Aparecida; Brandao, Paula; Campos, Elvio Antonio de
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 5.8624 ± 0.0007 Å
• b: 9.1815 ± 0.0011 Å
• c: 19.916 ± 0.002 Å
• α: 83.927 ± 0.003°
• β: 88.007 ± 0.003°
• γ: 78.591 ± 0.003°
• Cell volume: 1044.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No