Information card for entry 4503553

Structure parameters

• Formula: C36 H26 Cu2 N2 S4
• Calculated formula: C36 H26 Cu2 N2 S4
• Title of publication: CuCN Pillars Induce Face-to-Face π-Overlap of Anthracene-Based Thioether Molecules within a Hybrid Coordination Network
• Authors of publication: Sun, Yan-Qiong; Tsang, Chun-Kwan; Xu, Zhengtao; Huang, Guo; He, Jun; Zhou, Xiao-Ping; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1468
• a: 11.3812 ± 0.0016 Å
• b: 15.574 ± 0.002 Å
• c: 9.3119 ± 0.0013 Å
• α: 90°
• β: 104.361 ± 0.002°
• γ: 90°
• Cell volume: 1599 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No