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Information card for entry 2237388
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| Coordinates | 2237388.cif |
|---|---|
| Structure factors | 2237388.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chlorobenzene-1,4-diaminium bis(dihydrogenphosphate) |
|---|---|
| Formula | C6 H13 Cl N2 O8 P2 |
| Calculated formula | C6 H13 Cl N2 O8 P2 |
| Title of publication | 2-Chlorobenzene-1,4-diaminium bis(dihydrogenphosphate) |
| Authors of publication | Mrad, Mohamed Lahbib; Zeller, Matthias; Rzaigui, Mohamed; Ben Nasr, Cherif |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o159 - o160 |
| a | 7.0084 ± 0.0008 Å |
| b | 7.9404 ± 0.0009 Å |
| c | 23.064 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1283.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0251 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237388.cif 2237388.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. |
2237388.cif 2237388.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. | 2237388.cif 2237388.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237388.cif 2237388.hkl |
| 75406 | 2013-03-09 | cif/ Adding structures of 2237388 via cif-deposit CGI script. |
2237388.cif |
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Users of the data should acknowledge the original authors of the
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