Information card for entry 2202483

Structure parameters

• Formula: C40 H28 Cu N2 O6
• Calculated formula: C40 H28 Cu N2 O6
• SMILES: C12C(c3ccccc3OC=1c1ccccc1)=[O][Cu]1([n]3ccccc3)(O2)([n]2ccccc2)OC2=C(Oc3c(C2=[O]1)cccc3)c1ccccc1
• Title of publication: <i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)copper(II)
• Authors of publication: Okabe, Nobuo; Yamamoto, Emi; Yasunori, Muranishi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m715 - m716
• a: 8.539 ± 0.002 Å
• b: 10.029 ± 0.002 Å
• c: 11.098 ± 0.002 Å
• α: 114.7 ± 0.01°
• β: 97.18 ± 0.02°
• γ: 107 ± 0.01°
• Cell volume: 791.6 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No