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Information card for entry 2232699
Preview
| Coordinates | 2232699.cif |
|---|---|
| Structure factors | 2232699.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate |
|---|---|
| Formula | C20 H43 Cl N4 O6 Zn |
| Calculated formula | C20 H43 Cl N4 O6 Zn |
| Title of publication | (Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate |
| Authors of publication | Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1659 - m1660 |
| a | 17.822 ± 0.006 Å |
| b | 12.995 ± 0.006 Å |
| c | 22.381 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5183 ± 3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0896 |
| Residual factor for significantly intense reflections | 0.0804 |
| Weighted residual factors for significantly intense reflections | 0.1783 |
| Weighted residual factors for all reflections included in the refinement | 0.1832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.289 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2232699.cif 2232699.hkl |
| 181248 | 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 2/23/26. |
2232699.cif 2232699.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2232699.cif 2232699.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232699.cif 2232699.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. | 2232699.cif 2232699.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232699.cif 2232699.hkl |
| 31577 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232699 via cif-deposit CGI script. |
2232699.cif |
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Users of the data should acknowledge the original authors of the
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