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Information card for entry 4324627
Preview
| Coordinates | 4324627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Asco_aquo |
|---|---|
| Formula | C25 H24 As Cl4 Ir O3 |
| Calculated formula | C25 H24 As Cl4 Ir O3 |
| SMILES | C(#[O])[Ir]([OH2])(Cl)(Cl)(Cl)Cl.c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.O |
| Title of publication | Tetrachlorocarbonyliridates: Water-Soluble Carbon Monoxide Releasing Molecules Rate-Modulated by the Sixth Ligand |
| Authors of publication | Damian E. Bikiel; Estefanía González Solveyra; Florencia Di Salvo; Humberto M. S. Milagre; Marcos N. Eberlin; Rodrigo S. Corrêa; Javier Ellena; Darío A. Estrin; Fabio Doctorovich |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 2334 - 2345 |
| a | 11.0493 ± 0.0002 Å |
| b | 12.0623 ± 0.0002 Å |
| c | 12.5596 ± 0.0002 Å |
| α | 111.016 ± 0.001° |
| β | 95.379 ± 0.001° |
| γ | 111.648 ± 0.001° |
| Cell volume | 1402.22 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0443 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179349 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46. |
4324627.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324627.cif |
| 42808 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4324627 via cif-deposit CGI script. |
4324627.cif |
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Users of the data should acknowledge the original authors of the
structural data.