Information card for entry 7123247

Structure parameters

• Formula: C46 H42 N8 O6
• Calculated formula: C46 H42 N8 O6
• Title of publication: Morphology-dependent third-order optical nonlinearity of a 2D Co-based metal−organic framework with a porphyrinic skeleton
• Authors of publication: Niu, Ru-Jie; Zhou , Wen-Fa; LIU, Yan; Yang, Junyi; Zhang, Wen-Hua; Lang, Jian-Ping; Young, david James
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.6245 ± 0.0012 Å
• b: 8.6062 ± 0.0009 Å
• c: 18.1703 ± 0.0016 Å
• α: 90°
• β: 97.732 ± 0.003°
• γ: 90°
• Cell volume: 1956.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1706
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No