Information card for entry 4508081

Structure parameters

• Formula: C14 H8 O6 Rb S
• Calculated formula: C14 H8 O6 Rb S
• SMILES: S(=O)(=O)(c1ccc(C(=O)[O-])cc1)c1ccc(C(=O)[O-])cc1.[Rb+]
• 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: 12.1526 ± 0.0004 Å
• b: 4.8183 ± 0.0002 Å
• c: 12.3055 ± 0.0004 Å
• α: 90°
• β: 109.222 ± 0.002°
• γ: 90°
• Cell volume: 680.38 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No