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Information card for entry 2019727
Preview
Coordinates | 2019727.cif |
---|---|
Structure factors | 2019727.hkl |
Original IUCr paper | HTML |
Common name | Di(4-pyridinealdoxime)[pyridine-2,6-dicarboxylato-k2O2,N,O6]-zinc(II) |
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Chemical name | (Pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bis[<i>N</i>-\ (pyridin-4-ylmethylidene)hydroxylamine-κ<i>N</i>^1^]zinc(II) |
Formula | C19 H15 N5 O6 Zn |
Calculated formula | C19 H15 N5 O6 Zn |
SMILES | c1cc(cc[n]1[Zn]12([n]3c(C(=O)O1)cccc3C(=O)O2)[n]1ccc(cc1)/C=N/O)/C=N/O |
Title of publication | Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands |
Authors of publication | Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 12 |
a | 6.7644 ± 0.0002 Å |
b | 18.5124 ± 0.0005 Å |
c | 15.3595 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1923.4 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0834 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/2019727.html
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