Information card for entry 2017553

Structure parameters

• Common name: hexakis(ethylene glycol)disodium bis(ethyleneglycolato)-copper(II)
• Chemical name: bis(μ-ethylene glycol)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(ethylene glycol-κ^2^<i>O</i>,<i>O</i>')(ethylene glycol-κ<i>O</i>)sodium] bis(ethylene glycolato-κ<i>O</i>,<i>O</i>')copper(II)
• Formula: C16 H44 Cu Na2 O16
• Calculated formula: C16 H43.822 Cu Na2 O16
• SMILES: [Na]123([OH]CC[OH])([OH]CC[OH]1)[OH]CC[OH]2[Na]12([OH]CC[OH])([OH]CC[OH]1)[OH]CC[OH]23.[Cu]12(OCCO1)OCCO2
• Title of publication: A copper‒polyol complex: [Na~2~(C~2~H~6~O~2~)~6~][Cu(C~2~H~4~O~2~)~2~]
• Authors of publication: Rivers, Joseph H.; Carroll, Kyler J.; Jones, Richard A.; Carpenter, Everett E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m83 - m85
• a: 8.7666 ± 0.0012 Å
• b: 9.5089 ± 0.0013 Å
• c: 9.7804 ± 0.0013 Å
• α: 99.152 ± 0.004°
• β: 101.983 ± 0.004°
• γ: 113.91 ± 0.004°
• Cell volume: 701.61 ± 0.17 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: 0.0393
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes