Information card for entry 7229511

Structure parameters

• Formula: C38 H26 Cl4 Cu2 N8 O7 S2
• Calculated formula: C38 H22 Cl4 Cu2 N8 O7 S2
• Title of publication: High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand
• Authors of publication: Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 7.629 ± 0.005 Å
• b: 15.946 ± 0.005 Å
• c: 16.469 ± 0.005 Å
• α: 92.875 ± 0.005°
• β: 99.764 ± 0.005°
• γ: 101.239 ± 0.005°
• Cell volume: 1929.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No