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Information card for entry 2009213
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Coordinates | 2009213.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | acetylferrocene thiosemicarbazone |
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Formula | C13 H15 Fe N3 S |
Calculated formula | C13 H15 Fe N3 S |
SMILES | [Fe]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[c]23\C(=N/NC(=S)N)C |
Title of publication | Acetylferrocene thiosemicarbazone |
Authors of publication | Fang, Chen-Jie; Han, Gang; Liu, Yong-Jiang; Duan, Chun-Ying; Meng, Qing-Jin |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 12 |
Pages of publication | 2058 - 2060 |
a | 11.793 ± 0.007 Å |
b | 7.766 ± 0.002 Å |
c | 14.926 ± 0.004 Å |
α | 90° |
β | 96.65 ± 0.04° |
γ | 90° |
Cell volume | 1357.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.052 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for all reflections | 0.126 |
Weighted residual factors for significantly intense reflections | 0.114 |
Goodness-of-fit parameter for all reflections | 1.085 |
Goodness-of-fit parameter for significantly intense reflections | 1.081 |
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/2009213.html
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