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Information card for entry 4512125
Preview
Coordinates | 4512125.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H17 Br2 F4 I2 N |
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Calculated formula | C13 H17 Br2 F4 I2 N |
SMILES | c1(c(c(c(c(c1F)F)I)F)F)I.C([N+](CC)(CC)CC)Br.[Br-] |
Title of publication | Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies |
Authors of publication | Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 6041 |
a | 11.6862 ± 0.0005 Å |
b | 24.0917 ± 0.0009 Å |
c | 7.1603 ± 0.0003 Å |
α | 90° |
β | 106.682 ± 0.005° |
γ | 90° |
Cell volume | 1931.07 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0277 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0496 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/4512125.html
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