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Information card for entry 4065459
Preview
Coordinates | 4065459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H35 B F4 N2 Ni O |
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Calculated formula | C29 H35 B F4 N2 Ni O |
SMILES | C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ni]1234([cH]5[cH]4[cH]3[cH]2[cH]15)[O]=C(C)C.[B](F)(F)(F)[F-] |
Title of publication | Double Metalation of Acetone by a Nickel‒NHC Complex: Trapping of an Oxyallyl Ligand at a Dinickel Center |
Authors of publication | Oertel, Anna Magdalena; Ritleng, Vincent; Busiah, Asleche; Veiros, Luis F.; Chetcuti, Michael J. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 23 |
Pages of publication | 6495 |
a | 17.9622 ± 0.0004 Å |
b | 15.4905 ± 0.0004 Å |
c | 26.4982 ± 0.0005 Å |
α | 90° |
β | 128.031 ± 0.001° |
γ | 90° |
Cell volume | 5807.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0613 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4065459.html
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