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Information card for entry 7021920
Preview
Coordinates | 7021920.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 Cl2 Fe N6 O3 S2 |
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Calculated formula | C18 H19 Cl2 Fe N6 O3 S2 |
SMILES | c12c(ccc(c1)Cl)O[Fe]134([N](=C2)NC(=[S]3)NC)[N](=Cc2c(ccc(c2)Cl)O1)N=C(NC)S4.O |
Title of publication | A neutral Fe(iii) compound exhibiting a two-step spin transition and dielectric anomalies. |
Authors of publication | Li, Zhao-Yang; Dai, Jing-Wei; Gagnon, Kevin J.; Cai, Hong-Ling; Yamamoto, Takashi; Einaga, Yasuaki; Zhao, Han-Hua; Kanegawa, Shinji; Sato, Osamu; Dunbar, Kim R.; Xiong, Ren-Gen |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 41 |
Pages of publication | 14685 - 14688 |
a | 8.948 ± 0.0018 Å |
b | 22.429 ± 0.005 Å |
c | 11.469 ± 0.002 Å |
α | 90° |
β | 91.28 ± 0.03° |
γ | 90° |
Cell volume | 2301.2 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1808 |
Residual factor for significantly intense reflections | 0.0837 |
Weighted residual factors for significantly intense reflections | 0.1845 |
Weighted residual factors for all reflections included in the refinement | 0.2389 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7021920.html
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