Information card for entry 4327011

Structure parameters

• Formula: C16 H32 Cl2 Cu N4 O8
• Calculated formula: C16 H32 Cl2 Cu N4 O8
• SMILES: N12[Cu]3(N4C(C)(C)C[C@H](C)N3CC4)N([C@@H](CC1(C)C)C)CC2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Role of Ligand to Control the Mechanism of Nitric Oxide Reduction of Copper(II) Complexes and Ligand Nitrosation
• Authors of publication: Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11868 - 11876
• a: 9.9191 ± 0.0004 Å
• b: 10.4189 ± 0.0004 Å
• c: 11.9274 ± 0.0004 Å
• α: 90°
• β: 97.283 ± 0.002°
• γ: 90°
• Cell volume: 1222.71 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No