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Information card for entry 4070673
Preview
Coordinates | 4070673.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H39 N2 Ni O P |
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Calculated formula | C28 H39 N2 Ni O P |
SMILES | C1(=[O][Ni](N(C(=C1C#N)C)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)[P](C)(C)C)C |
Title of publication | Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality |
Authors of publication | Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 8 |
Pages of publication | 1671 |
a | 15.268 ± 0.002 Å |
b | 17.585 ± 0.002 Å |
c | 20.729 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5565.5 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1155 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.1411 |
Weighted residual factors for all reflections included in the refinement | 0.1628 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
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/4070673.html
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