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Information card for entry 8106729
Preview
| Coordinates | 8106729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H17 Cl N2 O10 Sn |
|---|---|
| Calculated formula | C10 H17 Cl N2 O10 Sn |
| SMILES | [Sn]12345(Cl)OC(=O)C[N]4(CC(=O)O1)CC[N]5(CC(=O)O2)CC(=O)O3.O.[OH3+] |
| Title of publication | The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn |
| Authors of publication | Fu, Zhihai; Chen, Bo; He, Aidang; Lv, Xia; Wei, Xin; Feng, Xiaojie; Huang, Chao; Xia, ChuanQin; Jin, Yongdong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 941 - 942 |
| a | 6.6666 ± 0.0003 Å |
| b | 6.6892 ± 0.0004 Å |
| c | 8.8779 ± 0.0006 Å |
| α | 101.34 ± 0.005° |
| β | 99.624 ± 0.005° |
| γ | 91.279 ± 0.004° |
| Cell volume | 382.09 ± 0.04 Å3 |
| Cell temperature | 294.28 ± 0.15 K |
| Ambient diffraction temperature | 294.28 ± 0.15 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280830 (current) | 2023-02-08 | cif/ Adding structures of 8106729 via cif-deposit CGI script. |
8106729.cif |
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Users of the data should acknowledge the original authors of the
structural data.