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Information card for entry 2227663
Preview
| Coordinates | 2227663.cif |
|---|---|
| Structure factors | 2227663.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis([μ-bis(diphenylphosphino)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i><i>C</i></i>- {tris[4-(methylsulfanyl)phenyl]arsine-3κ<i>As</i>}-<i>triangulo</i>- triruthenium(0)) dichloromethane monosolvate |
|---|---|
| Formula | C111 H88 As2 Cl2 O18 P4 Ru6 S6 |
| Calculated formula | C111 H88 As2 Cl2 O18 P4 Ru6 S6 |
| Title of publication | Bis([μ-bis(diphenylphosphino)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[4-(methylsulfanyl)phenyl]arsine-3κ<i>As</i>}-<i>triangulo</i>-triruthenium(0)) dichloromethane monosolvate |
| 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 | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1150 - m1151 |
| a | 10.8077 ± 0.0001 Å |
| b | 12.618 ± 0.0002 Å |
| c | 20.9478 ± 0.0003 Å |
| α | 94.539 ± 0.001° |
| β | 98.228 ± 0.001° |
| γ | 103.212 ± 0.001° |
| Cell volume | 2733.84 ± 0.07 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (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 2/22/76. |
2227663.cif 2227663.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. |
2227663.cif 2227663.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227663.cif 2227663.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. | 2227663.cif 2227663.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227663.cif 2227663.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227663.cif 2227663.hkl |
| 4700 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227663 via cif-deposit CGI script. |
2227663.cif |
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Users of the data should acknowledge the original authors of the
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