Information card for entry 4508082

Structure parameters

• Formula: C17 H17 Cs N O8 S
• Calculated formula: C17 H17 Cs N O8 S
• 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: 6.0544 ± 0.0002 Å
• b: 12.4991 ± 0.0003 Å
• c: 14.7539 ± 0.0005 Å
• α: 114.462 ± 0.001°
• β: 93.213 ± 0.001°
• γ: 100.177 ± 0.001°
• Cell volume: 989.83 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No