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Information card for entry 4003502
Preview
Coordinates | 4003502.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H22 Co I2 N6 |
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Calculated formula | C30 H22 Co I2 N6 |
SMILES | [I-].[I-].[Co]1234([n]5ccccc5c5[n]1c(c1[n]2cccc1)ccc5)[n]1ccccc1c1[n]4c(c2[n]3cccc2)ccc1 |
Title of publication | Controlling Spin Switching with Anionic Supramolecular Frameworks |
Authors of publication | Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C. |
Journal of publication | Chemistry of Materials |
Year of publication | 2020 |
a | 8.8299 ± 0.0009 Å |
b | 8.8299 ± 0.0009 Å |
c | 19.151 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1493.1 ± 0.3 Å3 |
Cell temperature | 400 ± 2 K |
Ambient diffraction temperature | 400 ± 2 K |
Number of distinct elements | 5 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.1488 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.1244 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4003502.html
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