Information card for entry 4102519

Structure parameters

• Formula: C17 H36 Cl2 Cu N5 O8
• Calculated formula: C17 H36 Cl2 Cu N5 O8
• SMILES: [Cu]123([N](CC[NH]2C(C)C)(CC[NH]1C(C)C)CC[NH]3C(C)C)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands
• Authors of publication: Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7846 - 7847
• a: 10.0634 ± 0.0002 Å
• b: 16.7202 ± 0.0003 Å
• c: 15.7994 ± 0.0003 Å
• α: 90°
• β: 91.718 ± 0.001°
• γ: 90°
• Cell volume: 2657.24 ± 0.09 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: 0.0725
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No