Information card for entry 7040795

Structure parameters

• Formula: C4 H6 Cu O6
• Calculated formula: C4 H6 Cu O6
• Title of publication: Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii).
• Authors of publication: Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16774 - 16778
• a: 5.0794 ± 0.0005 Å
• b: 8.6924 ± 0.0008 Å
• c: 7.7046 ± 0.0008 Å
• α: 90°
• β: 107.338 ± 0.003°
• γ: 90°
• Cell volume: 324.72 ± 0.06 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 4
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No