Information card for entry 2011221

Structure parameters

• Formula: C22 H17 Cl Cu N2 O2
• Calculated formula: C22 H17 Cl Cu N2 O2
• SMILES: [Cu]12(Cl)([O]=C(C=C(O1)C)c1ccccc1)[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: (Benzoylacetonato)chloro(1,10-phenanthroline)copper(II)
• Authors of publication: Elerman, Yalc̨ın; Kara, Hülya; Özcan, Sabahat; Kendi̇, Engin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 950 - 951
• a: 14.453 ± 0.003 Å
• b: 10.3993 ± 0.0013 Å
• c: 25.371 ± 0.002 Å
• α: 90°
• β: 94.366 ± 0.001°
• γ: 90°
• Cell volume: 3802.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes