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Information card for entry 2019159
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| Coordinates | 2019159.cif |
|---|---|
| Structure factors | 2019159.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetato](tetrahydrofuran)lithium(I) tetrahydrofuran monosolvate |
|---|---|
| Formula | C32 H55 Li N4 O2 S2 |
| Calculated formula | C32 H55 Li N4 O2 S2 |
| Title of publication | Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate |
| Authors of publication | Tampier, Stefan; Burzlaff, Nicolai |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 981 - 985 |
| a | 12.4026 ± 0.0003 Å |
| b | 16.3932 ± 0.0004 Å |
| c | 17.8867 ± 0.0004 Å |
| α | 90° |
| β | 105.013 ± 0.002° |
| γ | 90° |
| Cell volume | 3512.56 ± 0.15 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (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 2/01/91. |
2019159.cif 2019159.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. |
2019159.cif 2019159.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019159.cif 2019159.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019159.cif 2019159.hkl |
| 88742 | 2013-10-02 | cif/ Adding structures of 2019158, 2019159 via cif-deposit CGI script. |
2019159.cif |
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Users of the data should acknowledge the original authors of the
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