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Information card for entry 4071914
Preview
Coordinates | 4071914.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H46 I2 N4 O Rh2 |
---|---|
Calculated formula | C42 H46 I2 N4 O Rh2 |
SMILES | [Rh]123(I)(=C4N(C=CN4[C@@H]4C5c6c(cccc6)C(c6ccccc56)[C@H]4N4C=CN(C4=[Rh]456(I)[CH]7=[CH]4C4[CH]5=[CH]6C7C4)C)C)[CH]4=[CH]1C1[CH]2=[CH]3C4C1.O1CCCC1.[Rh]123(I)(=C4N(C=CN4[C@H]4C5c6c(cccc6)C(c6ccccc56)[C@@H]4N4C=CN(C4=[Rh]456(I)[CH]7=[CH]4C4[CH]5=[CH]6C7C4)C)C)[CH]4=[CH]1C1[CH]2=[CH]3C4C1.O1CCCC1 |
Title of publication | New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis |
Authors of publication | Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 20 |
Pages of publication | 5184 - 5195 |
a | 12.8891 ± 0.0012 Å |
b | 14.6531 ± 0.0014 Å |
c | 22.462 ± 0.002 Å |
α | 90° |
β | 104.806 ± 0.002° |
γ | 90° |
Cell volume | 4101.4 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0622 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0746 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4071914.html
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Users of the data should acknowledge the original authors of the
structural data.