Information card for entry 7055522

Structure parameters

• Formula: C11 H10 Cu N4 S2
• Calculated formula: C11 H10 Cu N4 S2
• Title of publication: Three cation-templated Cu(i) self-assemblies: synthesis, structures, and photocatalytic properties
• Authors of publication: Xu, Man-Man; Li, Yao; Zheng, Lin-Jie; Niu, Yun-Yin; Hou, Hong-Wei
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6086
• a: 10.8207 ± 0.0006 Å
• b: 12.6826 ± 0.0006 Å
• c: 9.658 ± 0.0005 Å
• α: 90°
• β: 108.391 ± 0.006°
• γ: 90°
• Cell volume: 1257.72 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.052
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No