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Information card for entry 2230147
Preview
| Coordinates | 2230147.cif |
|---|---|
| Structure factors | 2230147.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-(triisopropyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) |
|---|---|
| Formula | C43 H43 As2 O12 P Ru3 |
| Calculated formula | C43 H43 As2 O12 P Ru3 |
| SMILES | [Ru]12([Ru]([Ru]1([P](OC(C)C)(OC(C)C)OC(C)C)(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^C,2κ^3^C,3κ^3^C-(triisopropyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) |
| Authors of publication | bin Shawkataly, Omar; Alam, Mohd. Gulfam; Yeap, Chin Sing; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m545 - m546 |
| a | 12.3481 ± 0.0003 Å |
| b | 18.1697 ± 0.0004 Å |
| c | 21.5295 ± 0.0005 Å |
| α | 93.494 ± 0.001° |
| β | 103.23 ± 0.001° |
| γ | 90.383 ± 0.001° |
| Cell volume | 4692.39 ± 0.19 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (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 2/23/01. |
2230147.cif 2230147.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. |
2230147.cif 2230147.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2230147.cif 2230147.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230147.cif 2230147.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. | 2230147.cif 2230147.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230147.cif 2230147.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230147.cif 2230147.hkl |
| 20220 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230147 via cif-deposit CGI script. |
2230147.cif |
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