Information card for entry 7130885

Structure parameters

• Formula: C18 H18 Br Cl Cu N4 O7
• Calculated formula: C18 H18 Br Cl Cu N4 O7
• SMILES: [Br](O[Cu]123[n]4c(cccc4)C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Oxygen-Atom Transfer Photochemistry of a Molecular Copper Bromate Complex
• Authors of publication: Van Trieste, Gerard Pierre; Reibenspies, Joseph; Chen, Yu-Sheng; Sengupta, Debabrata; Thompson, Richard R.; Powers, David Charles
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.4244 ± 0.0011 Å
• b: 14.5899 ± 0.0018 Å
• c: 15.7525 ± 0.0018 Å
• α: 84.606 ± 0.002°
• β: 80.963 ± 0.002°
• γ: 89.819 ± 0.002°
• Cell volume: 2129.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1052
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.26
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No