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Information card for entry 7101107
Preview
Coordinates | 7101107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H24 Fe N4 Ni O2 S10 |
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Calculated formula | C26 H24 Fe N4 Ni O2 S10 |
SMILES | [Fe]12345[N](=Cc6c(O4)cccc6)CC[NH]1CC[NH]2CC[N]3=Cc1ccccc1O5.[Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2 |
Title of publication | [Fe(sal2-trien)][Ni(dmit)2]: Towards Switchable Spin Crossover Molecular Conductors |
Authors of publication | Christophe Faulmann; Stephane Dorbes; Jose A. Real; Lydie Valade |
Journal of publication | Chemical Communications |
Year of publication | 2005 |
Journal issue | 1 |
a | 9.253 ± 0.0009 Å |
b | 11.708 ± 0.0012 Å |
c | 17.241 ± 0.002 Å |
α | 79.49 ± 0.013° |
β | 78.107 ± 0.013° |
γ | 68.481 ± 0.011° |
Cell volume | 1688.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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