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Information card for entry 1542328
Preview
Coordinates | 1542328.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Co(terpy)2(TCNQ)3_MeCN |
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Chemical name | Cobalt(II) bis(2,2';6',2"-terpyridine) tetracyanoquinodimethanide mono acetonitrile |
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 | 19.074 ± 0.006 Å |
b | 8.705 ± 0.003 Å |
c | 33.611 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5581 ± 3 Å3 |
Cell temperature | 190 K |
Ambient diffraction temperature | 190 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 | 0.0799 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0829 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1542328.html
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