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Information card for entry 2232994
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| Coordinates | 2232994.cif |
|---|---|
| Structure factors | 2232994.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(3-cyanopyridine-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 1,4-dioxane disolvate |
|---|---|
| Formula | C34 H32 Co N10 O4 S2 |
| Calculated formula | C34 H32 Co N10 O4 S2 |
| Title of publication | Tetrakis(3-cyanopyridine-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 1,4-dioxane disolvate |
| Authors of publication | Diehr, Stephan; Wöhlert, Susanne; Boeckmann, Jan; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1898 |
| a | 15.5222 ± 0.0006 Å |
| b | 14.1865 ± 0.0007 Å |
| c | 10.0762 ± 0.0004 Å |
| α | 90° |
| β | 124.454 ± 0.003° |
| γ | 90° |
| Cell volume | 1829.61 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2232994.cif 2232994.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. |
2232994.cif 2232994.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232994.cif 2232994.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. | 2232994.cif 2232994.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232994.cif 2232994.hkl |
| 31887 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232994 via cif-deposit CGI script. |
2232994.cif |
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Users of the data should acknowledge the original authors of the
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