Information card for entry 4508080

Structure parameters

• Formula: C59 H43 K8 N O27 S4
• Calculated formula: C59 H43 K8 N O27 S4
• 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: 25.8796 ± 0.0005 Å
• b: 13.3553 ± 0.0003 Å
• c: 23.34 ± 0.0005 Å
• α: 90°
• β: 110.287 ± 0.001°
• γ: 90°
• Cell volume: 7566.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.2446
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No