Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239773
Preview
| Coordinates | 2239773.cif |
|---|---|
| Structure factors | 2239773.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (Benzyldiphenylphosphane-1κ<i>P</i>)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0) |
|---|---|
| Formula | C53 H39 O9 P3 Ru3 |
| Calculated formula | C53 H39 O9 P3 Ru3 |
| SMILES | [Ru]1([Ru]2([Ru]1([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](Cc1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | (Benzyldiphenylphosphane-1κ<i>P</i>)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0) |
| Authors of publication | bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Rosli, Mohd Mustaqim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | m293 - m294 |
| a | 13.4308 ± 0.0002 Å |
| b | 35.3969 ± 0.0006 Å |
| c | 20.6967 ± 0.0003 Å |
| α | 90° |
| β | 97.62 ± 0.001° |
| γ | 90° |
| Cell volume | 9752.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239773.cif 2239773.hkl |
| 181316 | 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 2/23/97. |
2239773.cif 2239773.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. |
2239773.cif 2239773.hkl |
| 120024 | 2014-07-11 | cif/ hkl/ Adding structures of 2239773 via cif-deposit CGI script. |
2239773.cif 2239773.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.