Information card for entry 1574771

Structure parameters

• Formula: C20 H26 Cr2 O20 S4
• Calculated formula: C20 H26 Cr2 O20 S4
• SMILES: O=S1(=O)O[Cr](OS(=O)(=O)c2cccc3c2cccc3S(=O)(=O)O[Cr](OS(=O)(=O)c2cccc3c2cccc13)([OH2])([OH2])([OH2])O)(O)([OH2])([OH2])[OH2]
• Title of publication: Solvent-free construction of Cr(iii)-sulfonate coordination polymers
• Authors of publication: Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11823 - 11832
• a: 11.006 ± 0.003 Å
• b: 7.772 ± 0.002 Å
• c: 18.214 ± 0.004 Å
• α: 90°
• β: 93.509 ± 0.004°
• γ: 90°
• Cell volume: 1555.1 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.3998
• Residual factor for significantly intense reflections: 0.2466
• Weighted residual factors for significantly intense reflections: 0.5482
• Weighted residual factors for all reflections included in the refinement: 0.6155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.621
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No