Information card for entry 2233034

Structure parameters

• Chemical name: (Tris{2-[(5-hydroxypyridin-2-yl-κ<i>N</i>)methylideneimino- κ<i>N</i>]ethyl}amine)zinc dinitrate
• Formula: C24 H27 N9 O9 Zn
• Calculated formula: C24 H27 N9 O9 Zn
• SMILES: [Zn]12345[N](CCN(CC[N]2=Cc2[n]3cc(O)cc2)CC[N]4=Cc2[n]5cc(O)cc2)=Cc2[n]1cc(O)cc2.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: (Tris{2-[(5-hydroxypyridin-2-yl-κ<i>N</i>)methylideneimino-κ<i>N</i>]ethyl}amine)zinc dinitrate
• Authors of publication: Seredyuk, Maksym; Znovjyak, Kateryna O.; Haukka, Matti; Pavlenko, Vadim A.; Bokach, Nadezhda A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1791 - m1792
• a: 28.0587 ± 0.0012 Å
• b: 10.3677 ± 0.0002 Å
• c: 19.1322 ± 0.0008 Å
• α: 90°
• β: 101.277 ± 0.002°
• γ: 90°
• Cell volume: 5458.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes