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Information card for entry 2237039
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| Coordinates | 2237039.cif |
|---|---|
| Structure factors | 2237039.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κ<i>P</i>}platinum(II) dichloromethane disolvate |
|---|---|
| Formula | C42 H68 Cl6 N2 P2 Pt |
| Calculated formula | C42 H68 Cl6 N2 P2 Pt |
| SMILES | CN(C)c1ccc([P](C2CCCCC2)(C2CCCCC2)[Pt](Cl)([P](c2ccc(N(C)C)cc2)(C2CCCCC2)C2CCCCC2)Cl)cc1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | <i>trans</i>-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κ<i>P</i>}platinum(II) dichloromethane disolvate |
| Authors of publication | Davis, Wade L.; Meijboom, Reinout |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1561 |
| a | 19.4146 ± 0.0009 Å |
| b | 13.1517 ± 0.0006 Å |
| c | 19.3459 ± 0.0009 Å |
| α | 90° |
| β | 94.66 ± 0.002° |
| γ | 90° |
| Cell volume | 4923.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237039.cif 2237039.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. |
2237039.cif 2237039.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237039.cif 2237039.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. | 2237039.cif 2237039.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. |
2237039.cif 2237039.hkl |
| 71315 | 2013-01-18 | cif/ Adding structures of 2237039 via cif-deposit CGI script. |
2237039.cif |
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Users of the data should acknowledge the original authors of the
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