Information card for entry 2219203

Structure parameters

• Formula: C18 H13 Cl Cu N2 O3
• Calculated formula: C18 H13 Cl Cu N2 O3
• SMILES: [Cu]12([O]=C3C=COC(=C3O1)C)([n]1cccc3c1c1[n]2cccc1cc3)Cl
• Title of publication: Chlorido(2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-<i>{κ</i>}^2^<i>O</i>^3^,<i>O</i>^4^)(1,10-phenanthroline-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Tan, Kong Wai; Ng, Chew Hee; Maah, Mohd Jamil; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1104
• a: 9.0043 ± 0.0002 Å
• b: 12.0599 ± 0.0002 Å
• c: 14.4655 ± 0.0003 Å
• α: 77.412 ± 0.001°
• β: 87.38 ± 0.001°
• γ: 84.565 ± 0.001°
• Cell volume: 1525.66 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes