Information card for entry 7010851

Structure parameters

• Formula: C29 H27 Cl9 Cu N6 O0 S4
• Calculated formula: C29 H27 Cl9 Cu N6 S4
• 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: 12.588 ± 0.003 Å
• b: 18.717 ± 0.005 Å
• c: 18.227 ± 0.005 Å
• α: 90°
• β: 92.98 ± 0.005°
• γ: 90°
• Cell volume: 4288.6 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1906
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No