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Information card for entry 4084103
Preview
Coordinates | 4084103.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H18 I N3 Ni |
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Calculated formula | C20 H18 I N3 Ni |
SMILES | [Ni]1234(I)(c5n(n[n+](c5c5ccccc5)C)c5ccccc5)[cH]5[cH]4[cH]3[cH]2[cH]15 |
Title of publication | Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity |
Authors of publication | Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 20 |
Pages of publication | 5834 |
a | 9.6319 ± 0.0002 Å |
b | 11.1871 ± 0.0002 Å |
c | 17.2369 ± 0.0003 Å |
α | 90° |
β | 90.263 ± 0.002° |
γ | 90° |
Cell volume | 1857.31 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0252 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0521 |
Weighted residual factors for all reflections included in the refinement | 0.0533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4084103.html
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