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Information card for entry 1548878
Preview
Coordinates | 1548878.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H36 Fe N14 S2 |
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Calculated formula | C60 H36 Fe N14 S2 |
SMILES | [Fe]12([n]3nc(n(/N=C/c4ccc5ccc6cccc7ccc4c5c67)c3c3[n]1cccc3)c1ncccc1)(N=C=S)(N=C=S)[n]1ccccc1c1[n]2nc(n1/N=C/c1ccc2ccc3cccc4ccc1c2c34)c1ncccc1 |
Title of publication | Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions. |
Authors of publication | Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 11 |
Pages of publication | 2892 - 2897 |
a | 8.002 ± 0.0006 Å |
b | 9.1057 ± 0.0007 Å |
c | 17.7358 ± 0.0014 Å |
α | 76.787 ± 0.004° |
β | 82.257 ± 0.004° |
γ | 80.099 ± 0.004° |
Cell volume | 1233.2 ± 0.17 Å3 |
Cell temperature | 277 ± 2 K |
Ambient diffraction temperature | 277 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0798 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0976 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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