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Information card for entry 7234319
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| Coordinates | 7234319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | iron(II) py3CMe complex |
|---|---|
| Chemical name | tetrabutylammonium iron(II)(1,1,1-tris(2-pyridyl)ethane)trithiocyanate |
| Formula | C36 H51 Fe N7 S3 |
| Calculated formula | C36 H51 Fe N7 S3 |
| SMILES | [Fe]12([n]3c(C(c4[n]1cccc4)(c1[n]2cccc1)C)cccc3)(N=C=S)(N=C=S)N=C=S.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Heating-rate dependence of spin-crossover hysteresis observed in an iron(ii) complex having tris(2-pyridyl)methanol |
| Authors of publication | Masaru Yamasaki; Takayuki Ishida |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7784 - 7787 |
| a | 12.173 ± 0.006 Å |
| b | 12.28 ± 0.005 Å |
| c | 16.068 ± 0.008 Å |
| α | 69.861 ± 0.018° |
| β | 69.023 ± 0.018° |
| γ | 60.628 ± 0.015° |
| Cell volume | 1912 ± 1.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219058 (current) | 2019-10-03 | cif/ Adding structures of 7234319 via cif-deposit CGI script. |
7234319.cif |
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