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Information card for entry 4064254
Preview
| Coordinates | 4064254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H35 Ir4 N O11 Sn |
|---|---|
| Calculated formula | C37 H35 Ir4 N O11 Sn |
| SMILES | [Ir]1234([Ir]56([Ir]1([Ir]25(C#[O])(C#[O])C#[O])(C6=O)(C4=O)(C#[O])C#[O])(C3=O)(C#[O])C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].[N+](CC)(CC)(CC)CC |
| 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 | 11.4876 ± 0.0005 Å |
| b | 13.0624 ± 0.0006 Å |
| c | 14.9583 ± 0.0007 Å |
| α | 84.581 ± 0.001° |
| β | 87.858 ± 0.001° |
| γ | 77.745 ± 0.001° |
| Cell volume | 2183.28 ± 0.17 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0332 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
4064254.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064254.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064254.cif |
| 32829 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064254, 4064255, 4064256 via cif-deposit CGI script. |
4064254.cif |
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Users of the data should acknowledge the original authors of the
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