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Information card for entry 4079442
Preview
Coordinates | 4079442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H27 Cr I N |
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Calculated formula | C28 H27 Cr I N |
SMILES | C[N]1(C)Cc2ccccc2C(=C(c2ccccc2)[Cr]23451([cH]1[cH]2[cH]3[cH]4[cH]51)I)c1ccccc1 |
Title of publication | Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex |
Authors of publication | MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 18 |
Pages of publication | 6681 |
a | 8.866 ± 0.002 Å |
b | 14.856 ± 0.003 Å |
c | 8.982 ± 0.002 Å |
α | 90° |
β | 96.725 ± 0.004° |
γ | 90° |
Cell volume | 1174.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0599 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1 |
Weighted residual factors for all reflections included in the refinement | 0.1074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4079442.html
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Users of the data should acknowledge the original authors of the
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