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Information card for entry 7244919
Preview
Coordinates | 7244919.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H26 F4 I2 N2 O4 |
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Calculated formula | C36 H26 F4 I2 N2 O4 |
Title of publication | Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes |
Authors of publication | Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 6.267 ± 0.0001 Å |
b | 11.0627 ± 0.0002 Å |
c | 12.1817 ± 0.0003 Å |
α | 76.276 ± 0.002° |
β | 83.834 ± 0.002° |
γ | 83.2 ± 0.002° |
Cell volume | 811.91 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0712 |
Weighted residual factors for all reflections included in the refinement | 0.0737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7244919.html
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Users of the data should acknowledge the original authors of the
structural data.