Information card for entry 2012051

Structure parameters

• Formula: C20 H18 Cu N2 O3
• Calculated formula: C20 H18 Cu N2 O3
• SMILES: c1cc([n]2[Cu]3([OH2])([n]4c5c(cccc5ccc4C)O3)Oc3c2c1ccc3)C
• Title of publication: (2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes
• Authors of publication: Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 714 - 716
• a: 7.5388 ± 0.0002 Å
• b: 9.1091 ± 0.0001 Å
• c: 24.8514 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.59 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes