Information card for entry 7018121

Structure parameters

• Formula: C12 H36 Cl2 Cu N4 O10
• Calculated formula: C12 H36 Cl2 Cu N4 O10
• SMILES: [O-]Cl(=O)(=O)=O.O.[Cu]12([NH](CC)CC[NH]1CC)[NH](CC)CC[NH]2CC.[O-]Cl(=O)(=O)=O.O
• Title of publication: Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.
• Authors of publication: Sarma, Moushumi; Mondal, Biplab
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2927 - 2934
• a: 7.3704 ± 0.0005 Å
• b: 9.9384 ± 0.0007 Å
• c: 16.4246 ± 0.001 Å
• α: 90°
• β: 107.915 ± 0.004°
• γ: 90°
• Cell volume: 1144.77 ± 0.13 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: 0.0446
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No