Information card for entry 7110636

Structure parameters

• Formula: C13 H12 Cu N3 S
• Calculated formula: C13 H12 Cu N3 S
• Title of publication: A coordination polymer based on twofold interpenetrating three-dimensional four-connected nets of 42638 topology, [CuSCN(bpa)] [bpa = 1,2-bis(4-pyridyl)ethane]†
• Authors of publication: Wang, Quan-Ming; Guo, Guo-Cong; Mak, Thomas C. W.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1849
• a: 10.7824 ± 0.0015 Å
• b: 17.348 ± 0.002 Å
• c: 14.0835 ± 0.0018 Å
• α: 90°
• β: 97.405 ± 0.003°
• γ: 90°
• Cell volume: 2612.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1718
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No