Information card for entry 4327010

Structure parameters

• Formula: C8 H16 N4 O2
• Calculated formula: C8 H16 N4 O2
• SMILES: O=NN1C(C)(C)CC(N(N=O)CC1)C
• 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: 5.9207 ± 0.0007 Å
• b: 15.3528 ± 0.0017 Å
• c: 12.8203 ± 0.0015 Å
• α: 90°
• β: 114.452 ± 0.008°
• γ: 90°
• Cell volume: 1060.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.2077
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.626
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No