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Information card for entry 7000916
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Coordinates | 7000916.cif |
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Original paper (by DOI) | HTML |
Common name | ((4'-(4'''-Benzo-15-crown-5-sodium thiocyanate)-methyloxy- 2,2':6',2''-terpyridine) (4'-(4'''-benzo-15-crown-5-sodium dithiocyanate)-methyloxy-2,2':6',2''-terpyridine)) copper(ii) thiocyanate acetonitrile |
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Chemical name | {[4'-(4'''-Benzo-15-crown-5-sodium thiocyanate)- methyloxy-2,2':6',2''-terpyridine] [4'-(4'''-benzo-15-crown-5-sodium dithiocyanate)-methyloxy-2,2':6',2''- terpyridine]} copper(II) thiocyanate acetonitrile |
Formula | C66 H65 Cu N11 Na2 O12 S4 |
Calculated formula | C66 H65 Cu N11 Na2 O12 S4 |
SMILES | [Cu]1234([n]5ccccc5c5[n]1c(cc(OCc1cc6[O]7CC[O]8CC[O]9CC[O]%10CC[O](c6cc1)[Na]789%10(N=C=S)N=C=S)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(OCc2cc3[O]5CC[O]6CC[O]7CC[O]8CC[O](c3cc2)[Na]5678N=C=S)c1)c1[n]4cccc1.[S-]C#N.N#CC |
Title of publication | Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine |
Authors of publication | Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 14 |
Pages of publication | 2482 - 2489 |
a | 12.674 ± 0.002 Å |
b | 12.833 ± 0.002 Å |
c | 13.256 ± 0.003 Å |
α | 67.047 ± 0.011° |
β | 62.366 ± 0.011° |
γ | 87.686 ± 0.012° |
Cell volume | 1732.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.2783 |
Residual factor for significantly intense reflections | 0.1571 |
Weighted residual factors for significantly intense reflections | 0.3578 |
Weighted residual factors for all reflections included in the refinement | 0.4319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7000916.html
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