Information card for entry 1517716

Structure parameters

• Formula: C8 H24 Cl2 Cu N4 O9
• Calculated formula: C8 H24 Cl2 Cu N4 O9
• SMILES: [Cu]12([N](C)(CC[NH2]2)C)[N](C)(CC[NH2]1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Nitric oxide sensors based on copper(II) complexes of N-donor ligands
• Authors of publication: Pankaj Kumar; Apurba Kalita; Biplab Mondal
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 88 - 96
• a: 8.6454 ± 0.0005 Å
• b: 14.3954 ± 0.0008 Å
• c: 14.9911 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1865.7 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No