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Information card for entry 7057374
Preview
Coordinates | 7057374.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H36 F12 I12 P2 |
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Calculated formula | C56 H36 F12 I12 P2 |
Title of publication | Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines |
Authors of publication | Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 13 |
Pages of publication | 10518 |
a | 18.6366 ± 0.0009 Å |
b | 18.7492 ± 0.0008 Å |
c | 19.4096 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6782.1 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.0231 |
Weighted residual factors for significantly intense reflections | 0.0404 |
Weighted residual factors for all reflections included in the refinement | 0.0436 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/7057374.html
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