Information card for entry 2241289

Structure parameters

• Common name: IN492_11mz048
• Chemical name: (6,6'-Dihydroxybipyridine-2κ^2^<i>N</i>,<i>N</i>')[μ-6-(6-hydroxypyridin-2-yl)pyridin-2-olato-1:2κ^3^<i>N</i>,<i>N</i>':<i>O</i>^2^](μ-hydroxido-1:2κ^2^<i>O</i>:<i>O</i>')(μ-nitrato-1:2κ^2^<i>O</i>:<i>O</i>')(nitrato-1κ<i>O</i>)dicopper(II)
• Formula: C20 H16 Cu2 N6 O11
• Calculated formula: C20 H16 Cu2 N6 O11
• SMILES: c1(cccc2c3cccc4[n]3[Cu]3([n]12)([OH][Cu]1([n]2c(cccc2c2cccc([n]12)O)O)(O4)ON(=[O]3)=O)ON(=O)=O)O
• Title of publication: Crystal structures of bis- and hexakis[(6,6'-dihydroxybipyridine)copper(II)] nitrate coordination complexes
• Authors of publication: Gerlach, Deidra L.; Nieto, Ismael; Herbst-Gervasoni, Corey J.; Ferrence, Gregory M.; Zeller, Matthias; Papish, Elizabeth T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1447 - 1453
• a: 7.358 ± 0.002 Å
• b: 10.447 ± 0.003 Å
• c: 15.744 ± 0.004 Å
• α: 77.61 ± 0.004°
• β: 78.927 ± 0.004°
• γ: 69.938 ± 0.004°
• Cell volume: 1101 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0918
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes