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Information card for entry 7245222
Preview
Coordinates | 7245222.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H12 F4 I2 |
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Calculated formula | C21 H12 F4 I2 |
Title of publication | Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene |
Authors of publication | Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 15.2375 ± 0.001 Å |
b | 8.1987 ± 0.0003 Å |
c | 16.1855 ± 0.0012 Å |
α | 90° |
β | 104.826 ± 0.007° |
γ | 90° |
Cell volume | 1954.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0674 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.0914 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
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/7245222.html
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Users of the data should acknowledge the original authors of the
structural data.