Information card for entry 1542863

Structure parameters

• Formula: C18 H14 Cl Cu2 N3 O11
• Calculated formula: C18 H14 Cl Cu2 N3 O11
• Title of publication: Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: Coordination chemistry, ligand stability, and catalysis
• Authors of publication: Hallett, Andrew J.; O'Brien, Thomas M.; Carter, Emma; Kariuki, Benson M.; Murphy, Damien M.; Ward, Benjamin D.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2016
• Journal volume: 441
• Pages of publication: 86 - 94
• a: 8.5615 ± 0.0017 Å
• b: 10.268 ± 0.002 Å
• c: 12.907 ± 0.003 Å
• α: 101.62 ± 0.03°
• β: 100.94 ± 0.03°
• γ: 98.19 ± 0.03°
• Cell volume: 1071.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No