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Information card for entry 4089496
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Coordinates | 4089496.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in paper 2a |
---|---|
Formula | C36 H38 B F3 Ni P2 |
Calculated formula | C36 H38 B F3 Ni P2 |
SMILES | [Ni]1([P](c2c(cccc2)[B]([F]1)(F)F)(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Dimerization of Ethylene by Nickel Phosphino‒Borate Complexes |
Authors of publication | Gutsulyak, Dmitry V.; Gott, Andrew L.; Piers, Warren E.; Parvez, Masood |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 11 |
Pages of publication | 3363 |
a | 18.8584 ± 0.0003 Å |
b | 16.0547 ± 0.0003 Å |
c | 20.9696 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6348.9 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0784 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4089496.html
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