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Information card for entry 2017782
Preview
| Coordinates | 2017782.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | aminomethylphosphonic acid |
|---|---|
| Formula | C H6 N O3 P |
| Calculated formula | C H6 N O3 P |
| SMILES | P(=O)([O-])(O)C[NH3+] |
| Title of publication | Charge density distribution in aminomethylphosphonic acid |
| Authors of publication | Janicki, Rafał; Starynowicz, Przemysław |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | 559 - 567 |
| a | 8.977 ± 0.007 Å |
| b | 9.186 ± 0.007 Å |
| c | 10.003 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 824.9 ± 1.1 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0308 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0452 |
| Weighted residual factors for all reflections included in the refinement | 0.0463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2017782.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017782.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017782.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017782.cif |
| 4092 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017772, 2017773, 2017774, 2017775, 2017776, 2017777, 2017778, 2017779, 2017780, 2017781, 2017782, 2017783, 2017784 via cif-deposit CGI script. |
2017782.cif |
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Users of the data should acknowledge the original authors of the
structural data.