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Information card for entry 4064255
Preview
| Coordinates | 4064255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H67 Ir4 N O10 Sn2 |
|---|---|
| Calculated formula | C62 H67 Ir4 N O10 Sn2 |
| SMILES | [Ir]123([Ir]4([Ir]1([Ir]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)([H]3)(C#[O])C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].C(CCC)[N+](CCCC)(CCCC)CCCC |
| Title of publication | A New Method for Introducing Tin Ligands into Tetrairidium Dodecacarbonyl |
| Authors of publication | Adams, Richard D.; Chen, Mingwei; Trufan, Eszter; Zhang, Qiang |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 661 |
| a | 17.4174 ± 0.0005 Å |
| b | 18.1114 ± 0.0005 Å |
| c | 21.109 ± 0.0006 Å |
| α | 90° |
| β | 104.08 ± 0.001° |
| γ | 90° |
| Cell volume | 6458.9 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178536 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42. |
4064255.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064255.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064255.cif |
| 32829 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064254, 4064255, 4064256 via cif-deposit CGI script. |
4064255.cif |
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