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Information card for entry 4066057
Preview
| Coordinates | 4066057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H42 Cl N2 Rh |
|---|---|
| Calculated formula | C36 H42 Cl N2 Rh |
| SMILES | [Rh]123(Cl)(=C4N5[C@H]([C@H]6N4c4c(CCC6)cccc4)CCCc4c5cccc4)[CH]4CC[CH]1=[CH]2CC[CH]3=4.c1(ccccc1)C.[Rh]123(Cl)(=C4N5[C@@H]([C@@H]6N4c4c(CCC6)cccc4)CCCc4c5cccc4)[CH]4CC[CH]1=[CH]2CC[CH]3=4.c1(ccccc1)C |
| Title of publication | Synthesis and Structure of Fused N-Heterocylic Carbenes and Their Rhodium Complexes. |
| Authors of publication | Li, Jean; Stewart, Ian C.; Grubbs, Robert H. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 17 |
| Pages of publication | 3765 - 3768 |
| a | 10.1852 ± 0.0004 Å |
| b | 11.0172 ± 0.0004 Å |
| c | 14.5013 ± 0.0005 Å |
| α | 94.162 ± 0.002° |
| β | 91.706 ± 0.002° |
| γ | 109.954 ± 0.002° |
| Cell volume | 1522.92 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.0513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.887 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4066057.cif |
| 178504 | 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 4/06/60. |
4066057.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066057.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066057.cif |
| 33764 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066057, 4066058 via cif-deposit CGI script. |
4066057.cif |
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Users of the data should acknowledge the original authors of the
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