Information card for entry 1517717

Structure parameters

• Formula: C10 H19 Cl2 Cu N3 O10
• Calculated formula: C10 H19 Cl2 Cu N3 O10
• SMILES: [Cu]12(OCl(=O)(=O)=O)([NH](Cc3[n]1cccc3)CC[N]2(C)C)[OH2].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: 9.1118 ± 0.0002 Å
• b: 9.2782 ± 0.0002 Å
• c: 22.1845 ± 0.0006 Å
• α: 90°
• β: 100.041 ± 0.001°
• γ: 90°
• Cell volume: 1846.78 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No