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Information card for entry 2018562
Preview
| Coordinates | 2018562.cif |
|---|---|
| Structure factors | 2018562.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II) |
|---|---|
| Formula | C15 H15 Br N2 O2 Pt |
| Calculated formula | C15 H15 Br N2 O2 Pt |
| SMILES | [Pt]12(=C3N(C=CN3C)c3c2cc(Br)cc3)OC(=CC(=[O]1)C)C |
| Title of publication | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II) |
| Authors of publication | Tenne, Mario; Unger, Yvonne; Strassner, Thomas |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m203 - m205 |
| a | 7.5 ± 0.0006 Å |
| b | 12.144 ± 0.002 Å |
| c | 16.844 ± 0.003 Å |
| α | 90° |
| β | 100.625 ± 0.008° |
| γ | 90° |
| Cell volume | 1507.8 ± 0.4 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 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 | 0.0315 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0319 |
| Weighted residual factors for all reflections included in the refinement | 0.0351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180854 (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 2/01/85. |
2018562.cif 2018562.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. |
2018562.cif 2018562.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018562.cif 2018562.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. | 2018562.cif 2018562.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018562.cif 2018562.hkl |
| 65799 | 2012-09-06 | cif/ Adding structures of 2018562 via cif-deposit CGI script. |
2018562.cif |
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Users of the data should acknowledge the original authors of the
structural data.