Information card for entry 7018120

Structure parameters

• Formula: C8 H24 Cl2 Cu N4 O8
• Calculated formula: C8 H24 Cl2 Cu N4 O8
• SMILES: C[NH]1CC[NH](C)[Cu]21[NH](CC[NH]2C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[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: 8.6311 ± 0.0003 Å
• b: 13.7336 ± 0.0003 Å
• c: 15.1029 ± 0.0005 Å
• α: 90°
• β: 95.746 ± 0.001°
• γ: 90°
• Cell volume: 1781.24 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No