Information card for entry 7049483

Structure parameters

• Formula: C11 H10 Cl2 Cu N2 O2 S
• Calculated formula: C11 H10 Cl2 Cu N2 O2 S
• Title of publication: Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.
• Authors of publication: Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6730 - 6737
• a: 7.7548 ± 0.0005 Å
• b: 13.6358 ± 0.001 Å
• c: 12.7451 ± 0.0009 Å
• α: 90°
• β: 100.228 ± 0.004°
• γ: 90°
• Cell volume: 1326.29 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No