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Information card for entry 7228745
Preview
Coordinates | 7228745.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1ClPB-FA |
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Formula | C22 H10 Cl F5 |
Calculated formula | C22 H10 Cl F5 |
SMILES | Clc1c(F)c(F)c(F)c(F)c1F.c12c(cccc2)c2c3c1cccc3ccc2 |
Title of publication | Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds |
Authors of publication | Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 7.5282 ± 0.0002 Å |
b | 7.8131 ± 0.0002 Å |
c | 28.2918 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1664.08 ± 0.08 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0639 |
Weighted residual factors for all reflections included in the refinement | 0.0643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7228745.html
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