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Information card for entry 2227115
Preview
| Coordinates | 2227115.cif |
|---|---|
| Structure factors | 2227115.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(tetraphenylphosphonium) bis[<i>N</i>-(phenylsulfonyl)dithiocarbimato- κ^2^<i>S</i>,<i>S</i>']platinate(II) monohydrate |
|---|---|
| Formula | C62 H52 N2 O5 P2 Pt S6 |
| Calculated formula | C62 H52 N2 O5 P2 Pt S6 |
| SMILES | C1(=NS(=O)(=O)c2ccccc2)S[Pt]2(S1)SC(=NS(=O)(=O)c1ccccc1)S2.c1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Bis(tetraphenylphosphonium) bis[<i>N</i>-(phenylsulfonyl)dithiocarbimato-κ^2^<i>S</i>,<i>S</i>']platinate(II) monohydrate |
| Authors of publication | Silvério, H. A.; Guilardi, S.; Flauzino Neto, Wilson P.; Amin, Raquel S.; Oliveira, Marcelo R. L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | m971 - m972 |
| a | 9.2972 ± 0.0001 Å |
| b | 13.6482 ± 0.0003 Å |
| c | 24.4279 ± 0.0005 Å |
| α | 105.44 ± 0.001° |
| β | 90.916 ± 0.001° |
| γ | 107.777 ± 0.001° |
| Cell volume | 2829.11 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181192 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/71. |
2227115.cif 2227115.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227115.cif 2227115.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227115.cif 2227115.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. | 2227115.cif 2227115.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227115.cif 2227115.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227115.cif 2227115.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227115.cif |
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Users of the data should acknowledge the original authors of the
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