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Information card for entry 2236778
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| Coordinates | 2236778.cif |
|---|---|
| Structure factors | 2236778.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Dichloridobis[tris(4-chlorophenyl)phosphane-κ<i>P</i>]platinum(II) acetonitrile monosolvate |
|---|---|
| Formula | C38 H27 Cl8 N P2 Pt |
| Calculated formula | C38 H27 Cl8 N P2 Pt |
| SMILES | [Pt]([P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)([P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)(Cl)Cl.N#CC |
| Title of publication | <i>cis</i>-Dichloridobis[tris(4-chlorophenyl)phosphane-κ<i>P</i>]platinum(II) acetonitrile monosolvate |
| Authors of publication | Meijboom, Reinout; Kirsten, Leo; Mbhele, Thapelo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1229 |
| a | 13.3604 ± 0.0016 Å |
| b | 14.495 ± 0.0016 Å |
| c | 23.007 ± 0.003 Å |
| α | 90° |
| β | 120.694 ± 0.002° |
| γ | 90° |
| Cell volume | 3831.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0481 |
| Weighted residual factors for all reflections included in the refinement | 0.0519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181289 (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 2/23/67. |
2236778.cif 2236778.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. |
2236778.cif 2236778.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236778.cif 2236778.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. | 2236778.cif 2236778.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236778.cif 2236778.hkl |
| 70387 | 2012-12-21 | cif/ Adding structures of 2236778 via cif-deposit CGI script. |
2236778.cif |
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Users of the data should acknowledge the original authors of the
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