Information card for entry 7125313

Structure parameters

• Formula: C24 H12 N3 Na2.58333 O6
• Calculated formula: C24 H12 N3 Na2.58333 O6
• SMILES: [O-]C(=O)c1ccc(c2nc(nc(n2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])cc1.[Na+].[Na+].[Na+]
• Title of publication: An anionic Na(i)-organic framework platform: separation of organic dyes and post-modification for highly sensitive detection of picric acid.
• Authors of publication: Chen, Di-Ming; Tian, Jia-Yue; Wang, Zhuo-Wei; Liu, Chun-Sen; Chen, Min; Du, Miao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 77
• Pages of publication: 10668 - 10671
• a: 48.1642 ± 0.0008 Å
• b: 48.1642 ± 0.0008 Å
• c: 48.1642 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 111731 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 219
• Hermann-Mauguin space group symbol: F -4 3 c
• Hall space group symbol: F -4a 2 3
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2603
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No