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Information card for entry 2230720
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| Coordinates | 2230720.cif |
|---|---|
| Structure factors | 2230720.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | (1-ammonio-1-phosphonoethyl)phosphonate |
|---|---|
| Chemical name | (1-azaniumyl-1-phosphonoethyl)phosphonate |
| Formula | C2 H9 N O6 P2 |
| Calculated formula | C2 H9 N O6 P2 |
| SMILES | P(=O)(O)(O)C(P(=O)(O)[O-])([NH3+])C |
| Title of publication | A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate |
| Authors of publication | Tsaryk, Natalia V.; Dudko, Anatolij V.; Kozachkova, Alexandra N.; Pekhnyo, Vasily I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | o1651 - o1652 |
| a | 5.5674 ± 0.0011 Å |
| b | 5.9023 ± 0.0012 Å |
| c | 11.385 ± 0.002 Å |
| α | 82.334 ± 0.01° |
| β | 82.145 ± 0.009° |
| γ | 78.148 ± 0.01° |
| Cell volume | 360.56 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1034 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2230720.cif 2230720.hkl |
| 181229 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/07. |
2230720.cif 2230720.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230720.cif 2230720.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230720.cif 2230720.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230720.cif 2230720.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230720.cif 2230720.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230720.cif 2230720.hkl |
| 23035 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230720 via cif-deposit CGI script. |
2230720.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.