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Information card for entry 2019035
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| Coordinates | 2019035.cif |
|---|---|
| Structure factors | 2019035.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate |
|---|---|
| Formula | C13.6 H24.4 Cl2 N0.8 Pd S3 |
| Calculated formula | C13.588 H24.382 Cl2 N0.794 Pd S3 |
| Title of publication | <i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate |
| Authors of publication | Dawe, Louise Nicole; Penney, Lisa; Black, Daniel A.; Miller, David O.; Lucas, C. Robert |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | 727 - 729 |
| a | 24.906 ± 0.004 Å |
| b | 18.144 ± 0.002 Å |
| c | 8.328 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3763.4 ± 1.2 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0992 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| 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. |
2019035.cif 2019035.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019035.cif 2019035.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. |
2019035.cif 2019035.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019035.cif 2019035.hkl |
| 87402 | 2013-08-27 | cif/ Adding structures of 2019035 via cif-deposit CGI script. |
2019035.cif |
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Users of the data should acknowledge the original authors of the
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