Information card for entry 7706346

Structure parameters

• Formula: C16 H8 Cl Cu0.5 N6 S
• Calculated formula: C16 H8 Cl Cu0.5 N6 S
• Title of publication: Facilely controllable synthesis of copper-benzothiadiazole complexes <i>via</i> solvothermal reactions: exploring the customized synthetic approach by experiments.
• Authors of publication: Hu, Chen; Zhao, Yingnan; Han, Xiao; Song, Jiaqi; Ding, Jie; Hou, Hongwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1816 - 1823
• a: 13.1118 ± 0.0006 Å
• b: 12.837 ± 0.0006 Å
• c: 18.0339 ± 0.0008 Å
• α: 90°
• β: 102.238 ± 0.002°
• γ: 90°
• Cell volume: 2966.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No