Information card for entry 2013442

Structure parameters

• Formula: C32 H40 Cu2 N4 O12
• Calculated formula: C32 H40 Cu2 N4 O12
• SMILES: c12cccc3C[OH][Cu]45([n]13)([n]1c(cccc1CO)C[O]4[Cu]134([n]6c(cccc6C[OH]3)C[OH]1)[n]1c(cccc1CO)C[O]54)[OH]C2.O=C(C)[O-].O=C([O-])C
• Title of publication: Bis{μ-[6-(hydroxymethyl)-2-pyridyl]methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>}bis{[2,6-bis(hydroxymethyl)pyridine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)} diacetate
• Authors of publication: Gupta, Akhilesh Kumar; Kim, Jinkwon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m262 - m264
• a: 10.252 ± 0.001 Å
• b: 12.131 ± 0.0007 Å
• c: 14.2226 ± 0.0008 Å
• α: 90°
• β: 109.15 ± 0.005°
• γ: 90°
• Cell volume: 1670.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes