Information card for entry 7118626

Structure parameters

• Formula: C74 H54 N2 Na2 O10 Zn
• Calculated formula: C74 H54 N2 Na2 O10 Zn
• Title of publication: Electrical conductivity and electroluminescence of a new anthracene-based metal-organic framework with π-conjugated zigzag chains.
• Authors of publication: Chen, Dashu; Xing, Hongzhu; Su, Zhongmin; Wang, Chungang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2019 - 2022
• a: 30.871 ± 0.003 Å
• b: 30.871 ± 0.003 Å
• c: 10.6581 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10157.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No