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Information card for entry 2218084
Preview
Coordinates | 2218084.cif |
---|---|
Structure factors | 2218084.hkl |
Original IUCr paper | HTML |
Chemical name | (Acetone-κ<i>O</i>){6,6'-di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) |
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Formula | C31 H36 N2 O3 Zn |
Calculated formula | C31 H36 N2 O3 Zn |
SMILES | c12c(cccc1C=[N]1c3c(cccc3)[N]3[Zn]1(O2)([O]=C(C)C)Oc1c(cccc1C=3)C(C)(C)C)C(C)(C)C |
Title of publication | (Acetone-κ<i>O</i>){6,6'-di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) |
Authors of publication | Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 5 |
Pages of publication | m738 - m739 |
a | 10.5803 ± 0.0016 Å |
b | 16.3602 ± 0.0019 Å |
c | 15.729 ± 0.002 Å |
α | 90° |
β | 94.446 ± 0.01° |
γ | 90° |
Cell volume | 2714.4 ± 0.6 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0759 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.1887 |
Weighted residual factors for all reflections included in the refinement | 0.1904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2218084.html
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Users of the data should acknowledge the original authors of the
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