Information card for entry 4508079

Structure parameters

• Formula: C14 H8 Na2 O6 S
• Calculated formula: C14 H8 Na2 O6 S
• SMILES: [Na+].[Na+].S(=O)(=O)(c1ccc(C(=O)[O-])cc1)c1ccc(cc1)C(=O)[O-]
• Title of publication: Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand
• Authors of publication: Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3785
• a: 6.0616 ± 0.0004 Å
• b: 10.9133 ± 0.0007 Å
• c: 12.8782 ± 0.0007 Å
• α: 72.017 ± 0.003°
• β: 79.418 ± 0.003°
• γ: 78.143 ± 0.003°
• Cell volume: 786.37 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No