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Information card for entry 4003504
Preview
Coordinates | 4003504.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H26 Co F12 I8 N6 O |
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Calculated formula | C49 H25 Co F12 I8 N6 O |
SMILES | c12cccc[n]2[Co]234([n]5c1cccc5c1cccc[n]21)[n]1c(cccc1)c1cccc(c2cccc[n]42)[n]31.c1(c(c(c(c(c1F)F)F)I)F)I.c1(c(c(c(c(c1F)F)F)I)F)I.c1(c(c(c(c(c1F)F)F)I)F)I.CO.[I-].[I-] |
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 | 18.9848 ± 0.0004 Å |
b | 12.1745 ± 0.0002 Å |
c | 25.0029 ± 0.0005 Å |
α | 90° |
β | 91.073 ± 0.002° |
γ | 90° |
Cell volume | 5777.92 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0653 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0717 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
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/4003504.html
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