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Information card for entry 4332221
Preview
Coordinates | 4332221.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H82 Cu5 F60 N16 O28 |
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Calculated formula | C98 H82 Cu5 F60 N16 O28 |
SMILES | [Cu]12(OC(=CC(C(F)(F)F)=[O]1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)([n]1n2cc(c1)C1=N(=O)C(C)(C)C(C)(C)[N]1=[O][Cu]13([O]=[N]4C(C)(C)C(C)(C)N(=O)=C4c4c[n](n(CCCC2)c4)[Cu]24(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)[O]=C(C(F)(F)F)=CC(C(F)(F)F)O4)([O]=C(C=C(C(F)(F)F)O1)C(F)(F)F)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)[n]1cc2C3=N(=[O][Cu]45(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)[O]=[N]4=C(c5cn(CCCCn1c2)[n]([Cu]12([O]=C(C(F)(F)F)C=C(C(F)(F)F)O1)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)c5)[N](=O)C(C)(C)C4(C)C)C(C)(C)C(C)(C)[N]3=O |
Title of publication | 2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals |
Authors of publication | Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 9 |
Pages of publication | 3671 - 3678 |
a | 12.458 ± 0.002 Å |
b | 16.387 ± 0.003 Å |
c | 19.262 ± 0.004 Å |
α | 105.29 ± 0.003° |
β | 103.114 ± 0.003° |
γ | 107.368 ± 0.003° |
Cell volume | 3414.9 ± 1.1 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1607 |
Residual factor for significantly intense reflections | 0.0953 |
Weighted residual factors for significantly intense reflections | 0.2497 |
Weighted residual factors for all reflections included in the refinement | 0.3215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4332221.html
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