Information card for entry 7044568

Structure parameters

• Formula: C30 H26 Cl Cu N6 O4
• Calculated formula: C30 H26 Cl Cu N6 O4
• SMILES: c12cc(C)c(C)cc1ncc1[n]2[Cu]2([n]3c1cccc3)[n]1c3cc(C)c(C)cc3ncc1c1[n]2cccc1.[O-]Cl(=O)(=O)=O
• Title of publication: Catalytic fixation of atmospheric carbon dioxide by copper(II) complexes of bidentate ligands
• Authors of publication: Sethuraman, Muthuramalingam; Khamrang, Themmila; Velusamy, Marappan; Ramasamy, Mayilmurugan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.5802 ± 0.0011 Å
• b: 14.7784 ± 0.0008 Å
• c: 14.3077 ± 0.0011 Å
• α: 90°
• β: 114.588 ± 0.009°
• γ: 90°
• Cell volume: 2803.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0898
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No