Information card for entry 7021262

Structure parameters

• Formula: C29 H41 Cl2 N3 O2 Zn
• 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 ų
• 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