Information card for entry 2221040

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[6-bromopyridine-2,3- diylbis(nitrilomethylidyne)]diphenolato}copper(II) methanol solvate
• Formula: C22 H20 Br Cu N3 O5
• Calculated formula: C22 H20 Br Cu N3 O5
• SMILES: [Cu]123[N](c4ncc(Br)cc4[N]3=Cc3c(O1)c(OC)ccc3)=Cc1c(O2)c(OC)ccc1.OC
• Title of publication: {6,6'-Dimethoxy-2,2'-[6-bromopyridine-2,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II) methanol solvate
• Authors of publication: Jia, Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m343
• a: 7.452 ± 0.0008 Å
• b: 11.5402 ± 0.0013 Å
• c: 12.9432 ± 0.0014 Å
• α: 104.345 ± 0.002°
• β: 96.467 ± 0.002°
• γ: 96.531 ± 0.002°
• Cell volume: 1059.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes