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Information card for entry 7232126
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Coordinates | 7232126.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethene |
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Formula | C22 H14 I2 N2 |
Calculated formula | C22 H14 I2 N2 |
Title of publication | Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene |
Authors of publication | Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 6 |
Pages of publication | 990 |
a | 12.8031 ± 0.0015 Å |
b | 9.5117 ± 0.0013 Å |
c | 17.856 ± 0.003 Å |
α | 90° |
β | 107.973 ± 0.008° |
γ | 90° |
Cell volume | 2068.4 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2029 |
Residual factor for significantly intense reflections | 0.0862 |
Weighted residual factors for significantly intense reflections | 0.188 |
Weighted residual factors for all reflections included in the refinement | 0.2472 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
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/7232126.html
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