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Information card for entry 7021262
Preview
Coordinates | 7021262.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H41 Cl2 N3 O2 Zn |
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Calculated formula | C27 H35 Cl2 N3 O Zn |
SMILES | [Zn]12(Cl)(Cl)[N](Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)(Cc3[n]1cccc3)Cc1[n]2cccc1 |
Title of publication | Metal complexes with functionalised 2,2'-dipicolylamine ligand containing an antioxidant 2,6-di-tert-butylphenol moiety: synthesis and biological studies. |
Authors of publication | Milaeva, Elena R.; Shpakovsky, Dmitry B.; Gracheva, Yulia A.; Orlova, Sophia I.; Maduar, Viktoryia V.; Tarasevich, Boris N.; Meleshonkova, Natalia N.; Dubova, Ludmila G.; Shevtsova, Elena F. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 19 |
Pages of publication | 6817 - 6828 |
a | 14.579 ± 0.003 Å |
b | 13.032 ± 0.003 Å |
c | 16.021 ± 0.003 Å |
α | 90° |
β | 106.13 ± 0.03° |
γ | 90° |
Cell volume | 2924.1 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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