Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235827
Preview
| Coordinates | 2235827.cif |
|---|---|
| Structure factors | 2235827.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>]decacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triosmium(0) |
|---|---|
| Formula | C35 H22 As2 O10 Os3 |
| Calculated formula | C35 H22 As2 O10 Os3 |
| SMILES | [Os]1([Os]2([Os]1([As](C[As]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | [μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>]decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triosmium(0) |
| Authors of publication | bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1119 - m1120 |
| a | 11.2965 ± 0.0004 Å |
| b | 15.3594 ± 0.0005 Å |
| c | 20.6641 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3585.4 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0193 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0397 |
| Weighted residual factors for all reflections included in the refinement | 0.0401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181280 (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 2/23/58. |
2235827.cif 2235827.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. |
2235827.cif 2235827.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235827.cif 2235827.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. | 2235827.cif 2235827.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235827.cif 2235827.hkl |
| 65876 | 2012-09-06 | cif/ Adding structures of 2235827 via cif-deposit CGI script. |
2235827.cif |
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.