Information card for entry 4508288

Structure parameters

• Formula: C14 H8 N2 Na2 O16.18 S2
• Calculated formula: C14 H8 N2 Na2 O16.177 S2
• SMILES: c1(cc(ccc1/C=C/c1c(cc(N(=O)=O)cc1)S(=O)(=O)[O-])N(=O)=O)S(=O)(=O)[O-].[Na+].O.[Na+].O.O.O.O.O.O
• Title of publication: Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives
• Authors of publication: Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4495
• a: 8.1287 ± 0.0011 Å
• b: 27.0318 ± 0.0014 Å
• c: 10.8606 ± 0.0004 Å
• α: 90°
• β: 99.894 ± 0.006°
• γ: 90°
• Cell volume: 2350.9 ± 0.4 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No