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Information card for entry 2236839
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| Coordinates | 2236839.cif |
|---|---|
| Structure factors | 2236839.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichloridobis[tris(4-methoxylphenyl)phosphane- κ<i>P</i>]platinum(II) acetone disolvate |
|---|---|
| Formula | C48 H54 Cl2 O8 P2 Pt |
| Calculated formula | C48 H54 Cl2 O8 P2 Pt |
| SMILES | c1(ccc(cc1)OC)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)[Pt](Cl)([P](c1ccc(cc1)OC)(c1ccc(OC)cc1)c1ccc(OC)cc1)Cl.C(=O)(C)C.C(=O)(C)C |
| Title of publication | <i>trans</i>-Dichloridobis[tris(4-methoxylphenyl)phosphane-κ<i>P</i>]platinum(II) acetone disolvate |
| Authors of publication | Muller, Alfred |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1475 |
| a | 10.486 ± 0.001 Å |
| b | 11.036 ± 0.0011 Å |
| c | 11.363 ± 0.0011 Å |
| α | 85.787 ± 0.002° |
| β | 63.924 ± 0.002° |
| γ | 78.37 ± 0.002° |
| Cell volume | 1156.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0194 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for all reflections included in the refinement | 0.0401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181290 (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 2/23/68. |
2236839.cif 2236839.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. |
2236839.cif 2236839.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236839.cif 2236839.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. | 2236839.cif 2236839.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. |
2236839.cif 2236839.hkl |
| 71090 | 2013-01-18 | cif/ Adding structures of 2236839 via cif-deposit CGI script. |
2236839.cif |
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Users of the data should acknowledge the original authors of the
structural data.