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Information card for entry 2229232
Preview
| Coordinates | 2229232.cif |
|---|---|
| Structure factors | 2229232.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[(4- methylsulfanylphenyl)diphenylphosphane-3κ<i>P</i>]-<i>triangulo</i>- triruthenium(0) |
|---|---|
| Formula | C53 H39 As2 O9 P Ru3 S |
| Calculated formula | C53 H39 As2 O9 P Ru3 S |
| SMILES | [Ru]12([Ru]([Ru]1([P](c1ccccc1)(c1ccccc1)c1ccc(SC)cc1)(C#[O])(C#[O])C#[O])([As](C[As]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | [μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[(4-methylsulfanylphenyl)diphenylphosphane-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0) |
| 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 | m179 - m180 |
| a | 16.107 ± 0.0011 Å |
| b | 16.7244 ± 0.0012 Å |
| c | 24.3147 ± 0.0013 Å |
| α | 90° |
| β | 129.712 ± 0.003° |
| γ | 90° |
| Cell volume | 5038.6 ± 0.6 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181213 (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 2/22/92. |
2229232.cif 2229232.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. |
2229232.cif 2229232.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229232.cif 2229232.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. | 2229232.cif 2229232.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229232.cif 2229232.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229232.cif 2229232.hkl |
| 12320 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229232 via cif-deposit CGI script. |
2229232.cif |
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Users of the data should acknowledge the original authors of the
structural data.