Information card for entry 7039287

Structure parameters

• Formula: C14 H16 Cl2 Cu N4 O8
• Calculated formula: C14 H16 Cl2 Cu N4 O8
• SMILES: [Cu]12([N]#CC)[n]3c(C[NH]2Cc2cccc[n]12)cccc3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Amide bond cleavage initiated by coordination with transition metal ions and tuned by an auxiliary ligand.
• Authors of publication: Yang, Yongpo; Lu, Chunxin; Wang, Hailong; Liu, Xiaoming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10289 - 10296
• a: 8.3006 ± 0.0009 Å
• b: 31.46 ± 0.002 Å
• c: 8.499 ± 0.0009 Å
• α: 90°
• β: 118.64 ± 0.014°
• γ: 90°
• Cell volume: 1947.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No