Information card for entry 8104896

Structure parameters

• Formula: C23 H15 Cl Cu N4 O3
• Calculated formula: C23 H15 Cl Cu N4 O3
• Title of publication: Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k2 N,O)-(phenanthroline-k2 N,N')copper(II), C23H15ClCuN4O3
• Authors of publication: Yang, Qi; Hou, Meng-Qi; Chen, Pei-Rou; Li, Shuo; Zhou, Guang-Peng; Li, Gan; Chen, Dong-Dong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 109 - 111
• a: 10.63346 ± 0.00014 Å
• b: 17.99387 ± 0.00015 Å
• c: 11.6032 ± 0.00016 Å
• α: 90°
• β: 116.216 ± 0.0017°
• γ: 90°
• Cell volume: 1991.74 ± 0.05 ų
• Cell temperature: 292.88 ± 0.11 K
• Ambient diffraction temperature: 292.88 ± 0.11 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: 0.0339
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No