Information card for entry 7016534

Structure parameters

• Formula: C15 H17 Cl2 Cu N4 O8
• Calculated formula: C15 H17 Cl2 Cu N4 O8
• SMILES: [Cu]12([n]3c(cccc3)CCN2Cc2cccc[n]12)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Reduction of copper(ii) complexes of tridentate ligands by nitric oxide and fluorescent detection of NO in methanol and water media.
• Authors of publication: Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8656 - 8663
• a: 8.4963 ± 0.0009 Å
• b: 9.0426 ± 0.001 Å
• c: 26.44 ± 0.003 Å
• α: 90°
• β: 90.769 ± 0.007°
• γ: 90°
• Cell volume: 2031.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1045
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No