Information card for entry 7700726

Structure parameters

• Formula: C20 H57.94 Cu2 N4 Na4 O36.97
• Calculated formula: C20 H57.9452 Cu2 N4 Na4 O36.9726
• Title of publication: Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.
• Authors of publication: Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13388 - 13395
• a: 7.8006 ± 0.0017 Å
• b: 12.011 ± 0.003 Å
• c: 13.142 ± 0.002 Å
• α: 66.43 ± 0.019°
• β: 80.613 ± 0.016°
• γ: 81.048 ± 0.019°
• Cell volume: 1107.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No