Information card for entry 7706343

Structure parameters

• Formula: C32 H20 Br3 Cu3 N12 S2
• Calculated formula: C32 H20 Br3 Cu3 N12 S2
• 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: 14.745 ± 0.005 Å
• b: 11.282 ± 0.004 Å
• c: 21.686 ± 0.007 Å
• α: 90°
• β: 107.907 ± 0.012°
• γ: 90°
• Cell volume: 3433 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.01 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: 0.0315
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No