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Information card for entry 2019001
Preview
| Coordinates | 2019001.cif |
|---|---|
| Structure factors | 2019001.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl] |
|---|---|
| Formula | C18 H31 K O |
| Calculated formula | C18 H31 K O |
| Title of publication | <i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl] |
| Authors of publication | Seidel, Rüdiger W.; Ganesamoorthy, Chelladurai; Loerke, Sinah; Winter, Manuela V.; Gemel, Christian; Fischer, Roland A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 573 - 576 |
| a | 11.5883 ± 0.0003 Å |
| b | 10.3101 ± 0.0002 Å |
| c | 15.5888 ± 0.0004 Å |
| α | 90° |
| β | 94.891 ± 0.003° |
| γ | 90° |
| Cell volume | 1855.71 ± 0.08 Å3 |
| Cell temperature | 112 ± 2 K |
| Ambient diffraction temperature | 112 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (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 2/01/90. |
2019001.cif 2019001.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. |
2019001.cif 2019001.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2019001.cif 2019001.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019001.cif 2019001.hkl |
| 86733 | 2013-07-11 | cif/ Adding structures of 2019001 via cif-deposit CGI script. |
2019001.cif |
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Users of the data should acknowledge the original authors of the
structural data.