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Information card for entry 2300364
Preview
| Coordinates | 2300364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C8 H14 N2 O8 |
|---|---|
| Calculated formula | C8 H14 N2 O8 |
| SMILES | OC(=O)C(=O)[O-].OC(=O)C(=O)[O-].[NH2+]1CC[NH2+]CC1 |
| Title of publication | Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem |
| Authors of publication | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2011 |
| Journal volume | 44 |
| Journal issue | 4 |
| Pages of publication | 763 - 771 |
| a | 15.82035 ± 0.00012 Å |
| b | 5.68088 ± 0.00003 Å |
| c | 12.09343 ± 0.00008 Å |
| α | 90° |
| β | 107.332 ± 0.0008° |
| γ | 90° |
| Cell volume | 1037.53 ± 0.013 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.022 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for all reflections included in the refinement | 0.013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201980 (current) | 2017-10-13 | cif/ Marking COD entries in range 2/3 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2300364.cif |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300364.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2300364.cif |
| 86303 | 2013-06-01 | smi/2 Adding SMILES for fixed false C-centred radicals in subdir 2 |
2300364.cif |
| 27046 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2300357, 2300358, 2300359, 2300360, 2300361, 2300362, 2300363, 2300364 via cif-deposit CGI script. |
2300364.cif |
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Users of the data should acknowledge the original authors of the
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