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Information card for entry 1550640
Preview
Coordinates | 1550640.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H48 F12 Fe N10 P2 |
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Calculated formula | C30 H48 F12 Fe N10 P2 |
SMILES | [Fe]12345[n]6ccn(c6C=[N]1CCN(CC[N]3=Cc1[n]2ccn1CCCC)CC[N]5=Cc1[n]4ccn1CCCC)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
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 | 9.3885 ± 0.0005 Å |
b | 10.2632 ± 0.0004 Å |
c | 22.273 ± 0.0008 Å |
α | 91.779 ± 0.003° |
β | 101.106 ± 0.004° |
γ | 98.904 ± 0.004° |
Cell volume | 2076.46 ± 0.16 Å3 |
Cell temperature | 230 ± 1 K |
Ambient diffraction temperature | 230 ± 1 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 | 0.1461 |
Residual factor for significantly intense reflections | 0.0806 |
Weighted residual factors for significantly intense reflections | 0.2111 |
Weighted residual factors for all reflections included in the refinement | 0.2772 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
213799 (current) | 2019-02-23 | cif/ Adding structures of 1550636, 1550637, 1550638, 1550639, 1550640, 1550641, 1550642 via cif-deposit CGI script. |
1550640.cif |
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Users of the data should acknowledge the original authors of the
structural data.