Information card for entry 7700729

Structure parameters

• Formula: C44 H106 Cl2 Cu4 N8 Na10 O65
• Calculated formula: C44 H106 Cl2 Cu4 N8 Na10 O64.9998
• 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: 12.9325 ± 0.0011 Å
• b: 13.1643 ± 0.0012 Å
• c: 15.1474 ± 0.0014 Å
• α: 75.231 ± 0.008°
• β: 65.229 ± 0.009°
• γ: 77.057 ± 0.008°
• Cell volume: 2243.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No