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Information card for entry 2235571
Preview
Coordinates | 2235571.cif |
---|---|
Structure factors | 2235571.hkl |
Original IUCr paper | HTML |
Chemical name | [4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline- κ^2^<i>N</i>,<i>N</i>']iodido(triphenylphosphane-κ<i>P</i>)copper(I) |
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Formula | C30 H24 Br Cu I N2 P |
Calculated formula | C30 H24 Br Cu I N2 P |
SMILES | I[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=Cc2[n]1cccc2)c1ccc(Br)cc1 |
Title of publication | [4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']iodido(triphenylphosphane-κ<i>P</i>)copper(I) |
Authors of publication | Khalaji, Aliakbar Dehno; Bahramian, Bahram; Jafari, Khadijeh; Fejfarová, Karla; Dušek, Michal |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 7 |
Pages of publication | m1001 - m1002 |
a | 10.3141 ± 0.0005 Å |
b | 34.7124 ± 0.0016 Å |
c | 8.3792 ± 0.0004 Å |
α | 90° |
β | 114.321 ± 0.006° |
γ | 90° |
Cell volume | 2733.7 ± 0.3 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
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 | 0.0593 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0941 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2235571.html
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Users of the data should acknowledge the original authors of the
structural data.