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Information card for entry 2235506
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| Coordinates | 2235506.cif |
|---|---|
| Structure factors | 2235506.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,6'-Dimethyl-2,2'-bipyridin-1-ium tetrachloridoaurate(III) |
|---|---|
| Formula | C12 H13 Au Cl4 N2 |
| Calculated formula | C12 H13 Au Cl4 N2 |
| SMILES | [Au](Cl)(Cl)(Cl)[Cl-].n1c(cccc1C)c1[nH+]c(ccc1)C |
| Title of publication | 6,6'-Dimethyl-2,2'-bipyridin-1-ium tetrachloridoaurate(III) |
| Authors of publication | Zare Dehnavi, Marzieh; Abedi, Anita |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m981 |
| a | 10.8942 ± 0.0009 Å |
| b | 11.6784 ± 0.001 Å |
| c | 12.2866 ± 0.0011 Å |
| α | 90° |
| β | 95.772 ± 0.005° |
| γ | 90° |
| Cell volume | 1555.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0275 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181277 (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 2/23/55. |
2235506.cif 2235506.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. |
2235506.cif 2235506.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235506.cif 2235506.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235506.cif 2235506.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235506.cif 2235506.hkl |
| 63975 | 2012-08-10 | cif/ Adding structures of 2235506 via cif-deposit CGI script. |
2235506.cif |
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Users of the data should acknowledge the original authors of the
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