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Information card for entry 1559819
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Coordinates | 1559819.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H63 B F22 Mg N2 |
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Calculated formula | C71 H63 B F22 Mg N2 |
Title of publication | Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. |
Authors of publication | Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 7 |
Pages of publication | 2410 - 2418 |
a | 18.3734 ± 0.0001 Å |
b | 18.0983 ± 0.0001 Å |
c | 19.7295 ± 0.0001 Å |
α | 90° |
β | 98.061 ± 0.001° |
γ | 90° |
Cell volume | 6495.77 ± 0.06 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0352 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0773 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1559819.html
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