Information card for entry 7016535

Structure parameters

• Formula: C12 H15 Cl2 Cu N4 O10
• Calculated formula: C12 H15 Cl2 Cu N4 O10
• SMILES: [O-]Cl(=O)(=O)=O.[Cu]12([n]3c(n(cc3)C)C[NH]2CCc2[n]1cccc2)[OH2].Cl(=O)(=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: 8.3087 ± 0.0002 Å
• b: 10.3152 ± 0.0003 Å
• c: 11.6673 ± 0.0003 Å
• α: 85.849 ± 0.001°
• β: 83.595 ± 0.001°
• γ: 85.169 ± 0.001°
• Cell volume: 988.18 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No