Information card for entry 2209950

Structure parameters

• Chemical name: Dichloro{4-chloro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}copper(II)
• Formula: C12 H17 Cl3 Cu N2 O
• Calculated formula: C12 H17 Cl3 Cu N2 O
• SMILES: [Cu]1(Cl)(Cl)Oc2c(cc(Cl)cc2)C=[N]1CC[NH2+]C(C)C
• Title of publication: Dichloro{4-chloro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}copper(II)
• Authors of publication: Hou, Han-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1940 - m1941
• a: 11.887 ± 0.001 Å
• b: 11.557 ± 0.001 Å
• c: 12.531 ± 0.001 Å
• α: 90°
• β: 111.521 ± 0.001°
• γ: 90°
• Cell volume: 1601.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes