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Information card for entry 7012159
Preview
Coordinates | 7012159.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H43 B F20 N2 Zn |
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Calculated formula | C53 H43 B F20 N2 Zn |
SMILES | [Zn]1([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
Title of publication | Synthesis and catalytic activity of three-coordinate zinc cations |
Authors of publication | Hannant, Mark D.; Schormann, Mark; Bochmann, Manfred |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 22 |
Pages of publication | 4071 |
a | 16.234 ± 0.003 Å |
b | 19.98 ± 0.004 Å |
c | 17.443 ± 0.004 Å |
α | 90° |
β | 112.81 ± 0.03° |
γ | 90° |
Cell volume | 5215 ± 2 Å3 |
Cell temperature | 140 ± 1 K |
Ambient diffraction temperature | 140 ± 1 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 | 0.0578 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for all reflections | 0.1149 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Goodness-of-fit parameter for all reflections | 1.051 |
Goodness-of-fit parameter for significantly intense reflections | 1.158 |
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/7012159.html
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