Information card for entry 2222931

Structure parameters

• Chemical name: Chlorido(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C17 H15 Cl Cu N2 O2
• Calculated formula: C17 H15 Cl Cu N2 O2
• SMILES: [Cu]12(Cl)(OC(=CC(=[O]1)C)C)[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: Chlorido(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Wong, Yew Sent; Ng, Chew Hee; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m934
• a: 7.5436 ± 0.0001 Å
• b: 9.0347 ± 0.0002 Å
• c: 11.9399 ± 0.0002 Å
• α: 85.638 ± 0.001°
• β: 72.329 ± 0.001°
• γ: 85.716 ± 0.001°
• Cell volume: 771.97 ± 0.02 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes