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Information card for entry 2232906
Preview
| Coordinates | 2232906.cif |
|---|---|
| Structure factors | 2232906.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[(4<i>E</i>,11<i>E</i>)-5,7,12,14-tetrabenzyl-7,14-dimethyl- 1,4,8,11-tetraazacyclotetradeca-4,11-diene]cobalt(III) perchlorate |
|---|---|
| Formula | C40 H48 Cl3 Co N4 O4 |
| Calculated formula | C40 H48 Cl3 Co N4 O4 |
| Title of publication | Dichlorido[(4<i>E</i>,11<i>E</i>)-5,7,12,14-tetrabenzyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene]cobalt(III) perchlorate |
| Authors of publication | Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1722 - m1723 |
| a | 10.8111 ± 0.0007 Å |
| b | 13.835 ± 0.002 Å |
| c | 14.868 ± 0.003 Å |
| α | 73.66 ± 0.03° |
| β | 70.06 ± 0.03° |
| γ | 68.65 ± 0.02° |
| Cell volume | 1915.4 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (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 2/23/29. |
2232906.cif 2232906.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. |
2232906.cif 2232906.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232906.cif 2232906.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. | 2232906.cif 2232906.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232906.cif 2232906.hkl |
| 31790 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232906 via cif-deposit CGI script. |
2232906.cif |
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Users of the data should acknowledge the original authors of the
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