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Information card for entry 4084100
Preview
Coordinates | 4084100.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H39 B F4 N6 Ni |
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Calculated formula | C31 H39 B F4 N6 Ni |
SMILES | [Ni]1234(c5c(c6ccccc6)[n+](nn5CCCC)C)(c5c(c6ccccc6)[n+](nn5CCCC)C)[cH]5[cH]1[cH]2[cH]3[cH]45.[B](F)(F)(F)[F-] |
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 | 8.7442 ± 0.0001 Å |
b | 10.0791 ± 0.0001 Å |
c | 19.4342 ± 0.0002 Å |
α | 97.3889 ± 0.0007° |
β | 98.7774 ± 0.0008° |
γ | 111.427 ± 0.0009° |
Cell volume | 1543.79 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0359 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0675 |
Weighted residual factors for all reflections included in the refinement | 0.0702 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/4084100.html
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Users of the data should acknowledge the original authors of the
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