Information card for entry 2016560

Structure parameters

• Chemical name: [1,3-bis(2-hydroxybenzylidene)-2-methyl-2-(2- oxidobenzylideneaminomethyl)propane-1,3-diamine]nickel(II) [2-(2-hydroxybenzylideneaminomethyl)-2-methyl-1,3-bis(2- oxidobenzylidene)propane-1,3-diamine]nickel(II) chloride methanol disolvate
• Formula: C54 H59 Cl N6 Ni2 O8
• Calculated formula: C54 H59 Cl N6 Ni2 O8
• 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: 18.53 ± 0.004 Å
• b: 13.409 ± 0.002 Å
• c: 19.792 ± 0.003 Å
• α: 90°
• β: 92.969 ± 0.007°
• γ: 90°
• Cell volume: 4911.1 ± 1.5 ų
• Cell temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes