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Information card for entry 2229163
Preview
| Coordinates | 2229163.cif |
|---|---|
| Structure factors | 2229163.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Bis(diphenylphosphanyl)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>-[tris(biphenyl-4-yl)arsane- 3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0) |
|---|---|
| Formula | C70 H49 As O9 P2 Ru3 |
| Calculated formula | C70 H49 As O9 P2 Ru3 |
| SMILES | [Ru]12([Ru]([Ru]1([As](c1ccc(cc1)c1ccccc1)(c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)(C#[O])(C#[O])C#[O])([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | [μ-Bis(diphenylphosphanyl)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>-[tris(biphenyl-4-yl)arsane-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0) |
| Authors of publication | bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; 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 | m216 - m217 |
| a | 10.8435 ± 0.0007 Å |
| b | 12.6134 ± 0.0008 Å |
| c | 22.4695 ± 0.0015 Å |
| α | 81.029 ± 0.001° |
| β | 82.769 ± 0.001° |
| γ | 79.265 ± 0.001° |
| Cell volume | 2967.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181212 (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 2/22/91. |
2229163.cif 2229163.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. |
2229163.cif 2229163.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229163.cif 2229163.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. | 2229163.cif 2229163.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229163.cif 2229163.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229163.cif 2229163.hkl |
| 12214 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229163 via cif-deposit CGI script. |
2229163.cif |
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