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Information card for entry 7700728
Preview
| Coordinates | 7700728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H15 Cu K N2 O9 |
|---|---|
| Calculated formula | C10 H15 Cu K N2 O9 |
| 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 | 7.1143 ± 0.0004 Å |
| b | 16.6561 ± 0.001 Å |
| c | 23.7391 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2813 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1567 |
| Weighted residual factors for all reflections included in the refinement | 0.1768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700728.cif |
| 224491 | 2019-11-08 | cif/ Updating files of 7700725, 7700726, 7700727, 7700728, 7700729 Original log message: Adding full bibliography for 7700725--7700729.cif. |
7700728.cif |
| 217411 | 2019-08-06 | cif/ Adding structures of 7700725, 7700726, 7700727, 7700728, 7700729 via cif-deposit CGI script. |
7700728.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.