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Information card for entry 2237745
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| Coordinates | 2237745.cif |
|---|---|
| Structure factors | 2237745.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride |
|---|---|
| Formula | C219 H204 Cl F9 O17 P16 Ru4 S3 |
| Calculated formula | C219 H204 Cl F9 O17 P16 Ru4 S3 |
| Title of publication | <i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride |
| Authors of publication | Figueira, João; Rodrigues, João; Valkonen, Arto |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m226 |
| a | 15.7463 ± 0.0002 Å |
| b | 21.8914 ± 0.0003 Å |
| c | 28.6122 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9862.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (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 2/23/77. |
2237745.cif 2237745.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. |
2237745.cif 2237745.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237745.cif 2237745.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237745.cif 2237745.hkl |
| 85508 | 2013-05-07 | cif/ Adding structures of 2237745 via cif-deposit CGI script. |
2237745.cif |
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Users of the data should acknowledge the original authors of the
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