Information card for entry 7018119

Structure parameters

• Formula: C4 H10 N4 O2
• Calculated formula: C4 H10 N4 O2
• SMILES: CN(CCN(C)N=O)N=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: 5.7944 ± 0.0006 Å
• b: 10.0079 ± 0.0006 Å
• c: 13.3326 ± 0.0011 Å
• α: 90°
• β: 97.71 ± 0.006°
• γ: 90°
• Cell volume: 766.17 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No