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Information card for entry 2229069
Preview
| Coordinates | 2229069.cif |
|---|---|
| Structure factors | 2229069.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Bis(di-<i>o</i>-tolylphosphanyl)methane- 1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>- [diphenyl(phenylsulfanylmethyl)phosphane-3κ<i>P</i>]-<i>triangulo</i>- triruthenium(0) dichloromethane 0.25-solvate |
|---|---|
| Formula | C57.25 H47.5 Cl0.5 O9 P3 Ru3 S |
| Calculated formula | C57.25 H47.5 Cl0.5 O9 P3 Ru3 S |
| Title of publication | [μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[diphenyl(phenylsulfanylmethyl)phosphane-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0) dichloromethane 0.25-solvate |
| Authors of publication | bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m195 - m196 |
| a | 11.022 ± 0.002 Å |
| b | 28.576 ± 0.006 Å |
| c | 18.454 ± 0.004 Å |
| α | 90° |
| β | 106.069 ± 0.003° |
| γ | 90° |
| Cell volume | 5585 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181211 (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 2/22/90. |
2229069.cif 2229069.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2229069.cif 2229069.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229069.cif 2229069.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. | 2229069.cif 2229069.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229069.cif 2229069.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229069.cif 2229069.hkl |
| 12098 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229069 via cif-deposit CGI script. |
2229069.cif |
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Users of the data should acknowledge the original authors of the
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