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Information card for entry 4082110
Preview
Coordinates | 4082110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H35 B F15 N3 Ni |
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Calculated formula | C46 H35 B F15 N3 Ni |
SMILES | [Ni]123(N(C(=CC(=[N]1c1c(cccc1)C#[N][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C)C)c1c(cccc1C(C)C)C(C)C)[CH2]=[C]2(C3)C |
Title of publication | N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene |
Authors of publication | Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7323 |
a | 11.8729 ± 0.0004 Å |
b | 12.4776 ± 0.0003 Å |
c | 15.6858 ± 0.0005 Å |
α | 96.5367 ± 0.0017° |
β | 106.143 ± 0.0013° |
γ | 101.855 ± 0.0017° |
Cell volume | 2148.11 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0788 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1095 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
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/4082110.html
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Users of the data should acknowledge the original authors of the
structural data.