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Information card for entry 2228382
Preview
| Coordinates | 2228382.cif |
|---|---|
| Structure factors | 2228382.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-chloropyridine){2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}cobalt(III) perchlorate methanol monosolvate |
|---|---|
| Formula | C27 H26 Cl3 Co N4 O7 |
| Calculated formula | C27 H26 Cl3 Co N4 O7 |
| SMILES | [Co]123(Oc4c(cccc4)C=[N]2CC[N]3=Cc2c(O1)cccc2)([n]1ccc(Cl)cc1)[n]1ccc(Cl)cc1.Cl(=O)(=O)(=O)[O-].OC |
| Title of publication | Bis(4-chloropyridine){2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(III) perchlorate methanol monosolvate |
| Authors of publication | Zhang, Daopeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1633 |
| a | 9.0244 ± 0.0012 Å |
| b | 11.2625 ± 0.0016 Å |
| c | 15.052 ± 0.002 Å |
| α | 92.757 ± 0.002° |
| β | 103.843 ± 0.002° |
| γ | 95.396 ± 0.002° |
| Cell volume | 1474.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1484 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228382.cif 2228382.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228382.cif 2228382.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228382.cif 2228382.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. | 2228382.cif 2228382.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228382.cif 2228382.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228382.cif 2228382.hkl |
| 5782 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228382, 2228383, 2228384, 2228385, 2228386, 2228387, 2228388, 2228389, 2228390, 2228391 via cif-deposit CGI script. |
2228382.cif |
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Users of the data should acknowledge the original authors of the
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