Information card for entry 2016561

Structure parameters

• Chemical name: [1,3-bis(2-hydroxybenzylidene)-2-methyl-2-(2- oxidobenzylideneaminomethyl)propane-1,3-diamine]zinc(II) perchlorate [2-(2-hydroxybenzylideneaminomethyl)-2-methyl-1,3-bis(2- oxidobenzylidene)propane-1,3-diamine]zinc(II)methanol trisolvate
• Formula: C55 H63 Cl N6 O13 Zn2
• Calculated formula: C55 H63 Cl N6 O13 Zn2
• SMILES: [Zn]12345[OH]c6c(cccc6)C=[N]3CC(C)(C[N]5=Cc5c([OH]2)cccc5)C[N]4=Cc3c(cccc3)O1.[OH]1[Zn]2345Oc6c(C=[N]3CC(C)(C[N]4=Cc3c(O2)cccc3)C[N]5=Cc4c1cccc4)cccc6.Cl(=O)(=O)(=O)[O-].OC.OC.OC
• Title of publication: Mononuclear nickel(II) and zinc(II) complexes with deprotonated forms of the tripodal hexadentate ligand 1,3-bis(2-hydroxybenzylidene)-2-(2-hydroxybenzylideneaminomethyl)-2-methylpropane-1,3-diamine
• Authors of publication: Yamaguchi, Tomoka; Sunatsuki, Yukinari; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m156 - m160
• a: 13.626 ± 0.005 Å
• b: 19.383 ± 0.006 Å
• c: 21.522 ± 0.007 Å
• α: 90°
• β: 106.27 ± 0.007°
• γ: 90°
• Cell volume: 5457 ± 3 ų
• Cell temperature: 103 ± 1 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: 0.0563
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes