Information card for entry 4324824

Structure parameters

• Formula: C8 H12 Cl Cu N4 O4
• Calculated formula: C8 H12 Cl Cu N4 O4
• SMILES: C(C)#[N][Cu]([N]#CC)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Nitric Oxide Reduction of Copper(II) Complexes: Spectroscopic Evidence of Copper(II)-Nitrosyl Intermediate
• Authors of publication: Moushumi Sarma; Biplab Mondal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3206 - 3212
• a: 24.255 ± 0.006 Å
• b: 8.473 ± 0.002 Å
• c: 20.757 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4265.8 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No