Information card for entry 7010850

Structure parameters

• Formula: C24.5 H26 Cl Cu N4 O4.5 S3
• Calculated formula: C24.5 H24 Cl Cu N4 O4.5 S3
• Title of publication: Engineering of non-interpenetrating 3-D and 2-D networks and guest adsorption based on 4,4′-di(3-methyl)pyridyl sulfide copper(ii) complexes
• Authors of publication: Su, Xun-Cheng; Zhu, Shourong; Lin, Hua-Kuan; Leng, Xue-Bing; Chen, Yun-Ti
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 3163
• a: 18.698 ± 0.002 Å
• b: 14.3969 ± 0.0018 Å
• c: 12.9711 ± 0.0016 Å
• α: 90°
• β: 121.106 ± 0.002°
• γ: 90°
• Cell volume: 2989.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No