Information card for entry 7209809

Structure parameters

• Formula: C8 H7 Cu N3 S2
• Calculated formula: C8 H7 Cu N3 S2
• Title of publication: The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties
• Authors of publication: Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 3835
• a: 9.6447 ± 0.0003 Å
• b: 10.2793 ± 0.0004 Å
• c: 10.651 ± 0.0003 Å
• α: 90°
• β: 91.74 ± 0.003°
• γ: 90°
• Cell volume: 1055.46 ± 0.06 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: 0.0668
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No