Information card for entry 7710977

Structure parameters

• Formula: C34 H30 Br2 Cl8 Cu3 N2 O18
• Calculated formula: C34 H30 Br2 Cl8 Cu3 N2 O18
• Title of publication: Thermal Induced Charge Transfer in Quinoid-bridged Linear Cu3 Compound
• Authors of publication: Liu, Xiao-Lin; Zhang, Xiao-Yi; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lansun
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.149 ± 0.0002 Å
• b: 12.4532 ± 0.0004 Å
• c: 12.456 ± 0.0004 Å
• α: 98.008 ± 0.002°
• β: 94.863 ± 0.002°
• γ: 95.21 ± 0.002°
• Cell volume: 1088.23 ± 0.06 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No