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Information card for entry 2232478
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| Coordinates | 2232478.cif |
|---|---|
| Structure factors | 2232478.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(dicyclohexylammonium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-1-yl)-1-phosphonatoethane]phosphonate ethanol monosolvate monohydrate |
|---|---|
| Formula | C43 H87 N5 O9 P2 |
| Calculated formula | C43 H86 N5 O9 P2 |
| Title of publication | Tris(dicyclohexylammonium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-1-yl)-1-phosphonatoethane]phosphonate ethanol monosolvate monohydrate |
| Authors of publication | Sarkar, Anindita; Cukrowski, Ignacy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2980 |
| a | 14.2351 ± 0.0002 Å |
| b | 14.301 ± 0.0003 Å |
| c | 15.3021 ± 0.0003 Å |
| α | 64.626 ± 0.001° |
| β | 79.725 ± 0.001° |
| γ | 60.96 ± 0.001° |
| Cell volume | 2459.04 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (current) | 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 2/23/24. |
2232478.cif 2232478.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. |
2232478.cif 2232478.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232478.cif 2232478.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. | 2232478.cif 2232478.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232478.cif 2232478.hkl |
| 31140 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232478 via cif-deposit CGI script. |
2232478.cif |
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