Information card for entry 7706342

Structure parameters

• Formula: C18 H15 Cu I N7 S
• Calculated formula: C18 H15 Cu I N7 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: 7.8851 ± 0.0008 Å
• b: 9.4706 ± 0.0008 Å
• c: 14.9633 ± 0.0013 Å
• α: 92.531 ± 0.003°
• β: 102.966 ± 0.003°
• γ: 113.898 ± 0.003°
• Cell volume: 984.06 ± 0.16 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.13 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0592
• 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: No
• Has Fobs: No