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Information card for entry 4071179
Preview
Coordinates | 4071179.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H32 I2 N6 Rh2 |
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Calculated formula | C22 H32 I2 N6 Rh2 |
SMILES | [Rh]123(I)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(N2C(=[Rh]345(I)[CH]6=[CH]3CC[CH]4=[CH]5CC6)N(N=C2)C)C=NN1C |
Title of publication | A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium |
Authors of publication | Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 9 |
Pages of publication | 2128 |
a | 8.7286 ± 0.0017 Å |
b | 12.243 ± 0.002 Å |
c | 13.855 ± 0.003 Å |
α | 103.63 ± 0.03° |
β | 100.11 ± 0.03° |
γ | 105.71 ± 0.03° |
Cell volume | 1339.1 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0438 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4071179.html
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