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Information card for entry 2017846
Preview
| Coordinates | 2017846.cif |
|---|---|
| Structure factors | 2017846.hkl |
| Original IUCr paper | HTML |
| Formula | C22 H40 Cl2 Co N4 |
|---|---|
| Calculated formula | C21.997 H39.991 Cl2 Co N4 |
| Title of publication | Intramolecular hydrogen bonding in dichloridobis(3,5-di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) as a consequence of ligand steric bulk |
| Authors of publication | Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m336 - m338 |
| a | 12.483 ± 0.004 Å |
| b | 17.516 ± 0.007 Å |
| c | 12.604 ± 0.004 Å |
| α | 90° |
| β | 90.22 ± 0.02° |
| γ | 90° |
| Cell volume | 2755.9 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.194 |
| Weighted residual factors for all reflections included in the refinement | 0.2051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017846.cif 2017846.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017846.cif 2017846.hkl |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2017846.cif 2017846.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017846.cif 2017846.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. | 2017846.cif 2017846.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017846.cif 2017846.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017846.cif 2017846.hkl |
| 4154 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017846 via cif-deposit CGI script. |
2017846.cif |
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Users of the data should acknowledge the original authors of the
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