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Information card for entry 2231174
Preview
Coordinates | 2231174.cif |
---|---|
Structure factors | 2231174.hkl |
Original IUCr paper | HTML |
Chemical name | Dichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc acetonitrile monosolvate |
---|---|
Formula | C27 H22 Cl2 Fe N4 Zn |
Calculated formula | C27 H22 Cl2 Fe N4 Zn |
SMILES | [Fe]12345678([c]9(c%10cc%11[n]%12[Zn](Cl)(Cl)([n]%13ccccc%11%13)[n]%11c(c%12c%10)cccc%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51.N#CC |
Title of publication | Dichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc acetonitrile monosolvate |
Authors of publication | Tang, Si-Ping; Feng, Yong-Lan; Kuang, Dai-Zhi |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 8 |
Pages of publication | m1017 |
a | 13.799 ± 0.002 Å |
b | 12.998 ± 0.002 Å |
c | 14.594 ± 0.002 Å |
α | 90° |
β | 104.514 ± 0.004° |
γ | 90° |
Cell volume | 2534 ± 0.6 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0842 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1307 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2231174.html
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Users of the data should acknowledge the original authors of the
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