Information card for entry 7244618

Structure parameters

• Formula: C15 H7 Cl Cu2 O9
• Calculated formula: C15 H7 Cl Cu2 O9
• Title of publication: Zn/Cu Complexes Constructed through Selective in Situ Br−Cl Exchange: Synthesis, Structures, Properties, and DFT Insights into the Cu-Catalyzed Mechanism
• Authors of publication: Si, Chang-Dai; Zhang, Jianbin; Pan, Feng-Feng; Wang, Peng; Liao, Tian-Lu; Zheng, Wan-He; Yuan, Kun; Liu, Jia-Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.0458 ± 0.0001 Å
• b: 10.7531 ± 0.0002 Å
• c: 11.7107 ± 0.0002 Å
• α: 69.684 ± 0.001°
• β: 87.113 ± 0.001°
• γ: 76.21 ± 0.001°
• Cell volume: 922.18 ± 0.03 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No