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Information card for entry 4067057
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Coordinates | 4067057.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonll64 |
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Formula | C27 H31 Cl N O2 Rh |
Calculated formula | C27 H31 Cl N O2 Rh |
SMILES | [Rh]12345(Cl)([n]6c(c7c(C(=C1C(=O)OCC)C)cccc7)cccc6)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
Title of publication | Reactivity and Regioselectivity of Insertion of Unsaturated Molecules into M−C (M = Ir, Rh) Bonds of Cyclometalated Complexes |
Authors of publication | Li, Ling; Jiao, Yunzhe; Brennessel, William W.; Jones, William D. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 20 |
Pages of publication | 4593 |
a | 10.9998 ± 0.0006 Å |
b | 16.0239 ± 0.0009 Å |
c | 16.1639 ± 0.0009 Å |
α | 63.356 ± 0.001° |
β | 87.854 ± 0.001° |
γ | 72.148 ± 0.001° |
Cell volume | 2407.1 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0832 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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/4067057.html
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