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Information card for entry 4335761
Preview
Coordinates | 4335761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H10 Br4 F12 N4 Ni |
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Calculated formula | C22 H10 Br4 F12 N4 Ni |
SMILES | Br[Ni]1(Br)[n]2c(cccc2)c2c(c(c(n12)C(F)(F)F)Br)C(F)(F)F.Brc1c(c([nH]c1C(F)(F)F)c1[nH+]cccc1)C(F)(F)F |
Title of publication | Synthesis and Oxidative Reactivity of 2,2'-Pyridylpyrrolide Complexes of Ni(II) |
Authors of publication | Nikolay P. Tsvetkov; Chun-Hsing Chen; José G. Andino; Richard L. Lord; Maren Pink; René W. Buell; Kenneth G. Caulton |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 9511 - 9521 |
a | 10.1424 ± 0.0011 Å |
b | 13.8621 ± 0.0014 Å |
c | 10.6833 ± 0.0011 Å |
α | 90° |
β | 111.838 ± 0.002° |
γ | 90° |
Cell volume | 1394.2 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0613 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for all reflections | 0.1091 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0001 |
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/4335761.html
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