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Information card for entry 2233646
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| Coordinates | 2233646.cif |
|---|---|
| Structure factors | 2233646.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
|---|---|
| Formula | C28 H33 Br2 N4 O0.5 |
| Calculated formula | C28 H33 Br2 N4 O0.5 |
| Title of publication | 3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate |
| Authors of publication | Iqbal, Muhammad Adnan; Haque, Rosenani A.; Fun, Hoong-Kun; Chia, Tze Shyang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o466 - o467 |
| a | 9.0465 ± 0.0004 Å |
| b | 11.4348 ± 0.0005 Å |
| c | 14.4143 ± 0.0007 Å |
| α | 74.013 ± 0.001° |
| β | 82.935 ± 0.001° |
| γ | 70.817 ± 0.001° |
| Cell volume | 1352.96 ± 0.11 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 | 0.0765 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (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 2/23/36. |
2233646.cif 2233646.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2233646.cif 2233646.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233646.cif 2233646.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. | 2233646.cif 2233646.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233646.cif 2233646.hkl |
| 38459 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233646 via cif-deposit CGI script. |
2233646.cif |
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Users of the data should acknowledge the original authors of the
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