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Information card for entry 4067275
Preview
| Coordinates | 4067275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Cl3 O3 Re Rh |
|---|---|
| Calculated formula | C13 H15 Cl3 O3 Re Rh |
| SMILES | [Re]12([Cl][Rh]3456([Cl]1)([Cl]2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C)(C#[O])(C#[O])C#[O] |
| Title of publication | Directed Synthesis of the Triangular Mixed-Metal Cluster H2RhRe2Cp*(CO)9: Ligand Fluxionality and Facile Cluster Fragmentation in the Presence of CO, Halogenated Solvents, and Thiols |
| Authors of publication | Huang, Shih-Huang; Watson, William H.; Carrano, Carl J.; Wang, Xiaoping; Richmond, Michael G. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 61 |
| a | 9.5709 ± 0.0006 Å |
| b | 14.7376 ± 0.0009 Å |
| c | 12.0776 ± 0.0007 Å |
| α | 90° |
| β | 90.189 ± 0.001° |
| γ | 90° |
| Cell volume | 1703.56 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0174 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections included in the refinement | 0.0311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178563 (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 4/06/72. |
4067275.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067275.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067275.cif |
| 34142 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067275 via cif-deposit CGI script. |
4067275.cif |
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Users of the data should acknowledge the original authors of the
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