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Information card for entry 2018040
Preview
| Coordinates | 2018040.cif |
|---|---|
| Structure factors | 2018040.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate |
|---|---|
| Formula | C13 H31 Cl5 P2 Pt |
| Calculated formula | C13 H31 Cl5 P2 Pt |
| SMILES | C(Cl)(Cl)Cl.[P]([Pt](Cl)([P](CC)(CC)CC)Cl)(CC)(CC)CC |
| Title of publication | A dynamic disorder-linked reversible phase transition in a new chloroform solvate of <i>cis</i>-dichloridobis(triethylphosphane)platinum(II) |
| Authors of publication | Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m111 - m114 |
| a | 19.0103 ± 0.0009 Å |
| b | 15.7378 ± 0.0007 Å |
| c | 7.6394 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2285.56 ± 0.19 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (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 2/01/80. |
2018040.cif 2018040.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. |
2018040.cif 2018040.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018040.cif 2018040.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. | 2018040.cif 2018040.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018040.cif 2018040.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2018040.cif 2018040.hkl |
| 19229 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2018040, 2018041 via cif-deposit CGI script. |
2018040.cif |
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