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Information card for entry 2239112
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| Coordinates | 2239112.cif |
|---|---|
| Structure factors | 2239112.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)potassium bis[(1,2,3,4-η)-anthracene]cobalt(-I) tetrahydrofuran monosolvate |
|---|---|
| Formula | C52 H68 Co K O9 |
| Calculated formula | C52 H68 Co K O9 |
| Title of publication | (1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)potassium bis[(1,2,3,4-η)-anthracene]cobalt({-}I) tetrahydrofuran monosolvate |
| Authors of publication | He, Haiyan; Klein, Wilhelm; Fässler, Thomas F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | m9 - m10 |
| a | 13.0428 ± 0.001 Å |
| b | 13.3557 ± 0.001 Å |
| c | 27.4939 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4789.3 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1157 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.765 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239112.cif 2239112.hkl |
| 181310 | 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 2/23/91. |
2239112.cif 2239112.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. |
2239112.cif 2239112.hkl |
| 105001 | 2014-03-11 | cif/ hkl/ Adding structures of 2239112 via cif-deposit CGI script. |
2239112.cif 2239112.hkl |
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