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Information card for entry 2016561
Preview
Coordinates | 2016561.cif |
---|---|
Structure factors | 2016561.hkl |
Original IUCr paper | HTML |
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 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/2016561.html
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