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Information card for entry 1550639
Preview
Coordinates | 1550639.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H48 As2 F12 Fe N10 |
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Calculated formula | C30 H48 As2 F12 Fe N10 |
SMILES | [As](F)(F)(F)(F)([F-])F.[As](F)(F)(F)(F)([F-])F.[Fe]12345[n]6ccn(c6C=[N]1CCN(CC[N]3=Cc1[n]2ccn1CCCC)CC[N]5=Cc1[n]4ccn1CCCC)CCCC |
Title of publication | Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material |
Authors of publication | Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 9.614 ± 0.0007 Å |
b | 10.2571 ± 0.0006 Å |
c | 21.9999 ± 0.0013 Å |
α | 91.522 ± 0.005° |
β | 96.193 ± 0.006° |
γ | 98.456 ± 0.006° |
Cell volume | 2131.4 ± 0.2 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2345 |
Residual factor for significantly intense reflections | 0.0903 |
Weighted residual factors for significantly intense reflections | 0.2341 |
Weighted residual factors for all reflections included in the refinement | 0.3306 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550639.html
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Users of the data should acknowledge the original authors of the
structural data.