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Information card for entry 7220320
Preview
| Coordinates | 7220320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H26 N4 O6 W |
|---|---|
| Calculated formula | C16 H26 N4 O6 W |
| SMILES | [W]12(Oc3c(O1)cccc3)(Oc1c(O2)cccc1)(=O)=O.NCC[NH3+].[NH3+]CCN |
| Title of publication | Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2− |
| Authors of publication | Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 4592 |
| a | 16.5081 ± 0.0007 Å |
| b | 23.4259 ± 0.0008 Å |
| c | 10.2617 ± 0.0003 Å |
| α | 90° |
| β | 92.433 ± 0.003° |
| γ | 90° |
| Cell volume | 3964.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1131 |
| Residual factor for significantly intense reflections | 0.084 |
| Weighted residual factors for significantly intense reflections | 0.1897 |
| Weighted residual factors for all reflections included in the refinement | 0.2009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220320.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220320.cif |
| 143416 | 2015-07-10 | cif/ Updating files of 7220320, 7220321 Original log message: Adding full bibliography for 7220320--7220321.cif. |
7220320.cif |
| 135828 | 2015-05-09 | cif/ Adding structures of 7220320, 7220321 via cif-deposit CGI script. |
7220320.cif |
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Users of the data should acknowledge the original authors of the
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