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Information card for entry 4083986
Preview
Coordinates | 4083986.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H44 N O P2 Rh |
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Calculated formula | C48 H44 N O P2 Rh |
SMILES | [Rh]12(c3c(C(=[N]2c2ccc(OC)cc2)c2ccc(cc2)C)ccc(c3)C)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1 |
Title of publication | Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions |
Authors of publication | Krug, Christopher; Hartwig, John F. |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Journal issue | 20 |
Pages of publication | 4594 - 4607 |
a | 14.72 ± 0.003 Å |
b | 29.946 ± 0.006 Å |
c | 18.379 ± 0.004 Å |
α | 90° |
β | 98.62 ± 0.03° |
γ | 90° |
Cell volume | 8010 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1402 |
Residual factor for significantly intense reflections | 0.0555 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.1125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4083986.html
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