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Information card for entry 4072214
Preview
| Coordinates | 4072214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H62 Cl5 O3 Rh3 |
|---|---|
| Calculated formula | C64 H62 Cl5 O3 Rh3 |
| SMILES | [Rh]12345([Cl][Rh]6789%10([Cl]1)[Cl][Rh]1%11%12%13(O[c]%146[c]7([c]8([c]9([c]%10%14CC)c6ccccc6)c6ccccc6)CC)[C]6(=O)[C]1(=[C]%11([C]%12(=[C]%136CC)c1ccccc1)c1ccccc1)CC)[C]1(=O)[C]2(=[C]3([C]4(=[C]51CC)c1ccccc1)c1ccccc1)CC.ClCCl |
| Title of publication | The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers |
| Authors of publication | Rechavi, Dalit; Scopelliti, Rosario; Severin, Kay |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5978 |
| a | 12.1598 ± 0.0009 Å |
| b | 13.6567 ± 0.0012 Å |
| c | 20.194 ± 0.002 Å |
| α | 90.772 ± 0.008° |
| β | 97.825 ± 0.008° |
| γ | 111.784 ± 0.008° |
| Cell volume | 3077.5 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1569 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.146 |
| Weighted residual factors for all reflections included in the refinement | 0.1667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.842 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178611 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/22. |
4072214.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072214.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072214.cif |
| 44298 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072213, 4072214, 4072215, 4072216, 4072217 via cif-deposit CGI script. |
4072214.cif |
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Users of the data should acknowledge the original authors of the
structural data.