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Information card for entry 2238182
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| Coordinates | 2238182.cif |
|---|---|
| Structure factors | 2238182.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{[2,2'-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)}{ acetonitrile hemisolvate |
|---|---|
| Formula | C46 H55 N5 O4 Pd2 S6 |
| Calculated formula | C46 H55 N5 O4 Pd2 S6 |
| Title of publication | Bis{[2,2'-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate |
| Authors of publication | Dawe, Louise Nicole; Adhikary, Bibhutosh; Collins, Julie L.; Lucas, C. Robert |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m360 - m361 |
| a | 14.7232 ± 0.0005 Å |
| b | 16.2151 ± 0.0005 Å |
| c | 20.9433 ± 0.0008 Å |
| α | 90° |
| β | 106.087 ± 0.001° |
| γ | 90° |
| Cell volume | 4804.2 ± 0.3 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (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 2/23/81. |
2238182.cif 2238182.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. |
2238182.cif 2238182.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. |
2238182.cif 2238182.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238182.cif 2238182.hkl |
| 87429 | 2013-08-27 | cif/ Adding structures of 2238182 via cif-deposit CGI script. |
2238182.cif |
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Users of the data should acknowledge the original authors of the
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