Information card for entry 2220031

Structure parameters

• Chemical name: {5,5'-Bis(methoxycarbonylmethoxy)-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}copper(II)
• Formula: C22 H22 Cu N2 O8
• Calculated formula: C22 H22 Cu N2 O8
• SMILES: [Cu]123[N](CC[N]1=Cc1ccc(cc1O3)OCC(=O)OC)=Cc1c(cc(cc1)OCC(=O)OC)O2
• Title of publication: {5,5'-Bis(methoxycarbonylmethoxy)-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}copper(II)
• Authors of publication: Wang, Zhi-Hui; Ma, Jian-Fang; Wu, Hua; Liu, Hai-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1432
• a: 9.668 ± 0.001 Å
• b: 10.012 ± 0.001 Å
• c: 11.763 ± 0.002 Å
• α: 85.251 ± 0.002°
• β: 80.381 ± 0.002°
• γ: 75.383 ± 0.002°
• Cell volume: 1085.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes