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Information card for entry 1542326
Preview
Coordinates | 1542326.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile |
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Formula | C68 H37 Co N19 |
Calculated formula | C68 H37 Co N19 |
SMILES | [Co]1234([n]5c(cccc5c5[n]2cccc5)c2[n]1cccc2)[n]1c(cccc1c1[n]3cccc1)c1[n]4cccc1.N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N.N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N.N#CC(C#N)=C1C=CC(=C(C#N)C#N)C=C1.CC#N |
Title of publication | A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior |
Authors of publication | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 2 |
Pages of publication | 1569 |
a | 19.2853 ± 0.0015 Å |
b | 8.727 ± 0.0007 Å |
c | 33.589 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5653.1 ± 0.8 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0757 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/1542326.html
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