Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039648
Preview
Coordinates | 7039648.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Conplex 5b |
---|---|
Formula | C42.84 H56.96 B N7 Ni Si |
Calculated formula | C39 H48 B N7 Ni Si |
SMILES | C1(=[N](C(C)(C)C)[Ni]21[n]1c(cc(C)n1[BH](n1c(C)cc(c3ccccc3)[n]21)n1c(C)cc(c2ccccc2)n1)c1ccccc1)C[Si](C)(C)C |
Title of publication | Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand. |
Authors of publication | Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 37 |
Pages of publication | 14581 - 14590 |
a | 13.93 ± 0.003 Å |
b | 11.256 ± 0.003 Å |
c | 26.727 ± 0.003 Å |
α | 90° |
β | 96.631 ± 0.019° |
γ | 90° |
Cell volume | 4162.7 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0426 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/7039648.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.