Information card for entry 7018123

Structure parameters

• Formula: C24 H36 N2 O4 S2
• Calculated formula: C24 H36 N2 O4 S2
• SMILES: C(N(S(=O)(=O)c1ccc(C)cc1)CCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1)C(C)C
• 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: 5.3633 ± 0.0002 Å
• b: 9.9606 ± 0.0005 Å
• c: 12.5886 ± 0.0005 Å
• α: 91.902 ± 0.003°
• β: 98.241 ± 0.003°
• γ: 97.192 ± 0.003°
• Cell volume: 659.43 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No