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Information card for entry 2204612
Preview
Coordinates | 2204612.cif |
---|---|
Structure factors | 2204612.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(butane-2,3-dione monooxime benzoylhydrazone-κ^3^O,N,N')nickel(II) sulfate salicylhydroxamic acid |
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Formula | C29 H33 N7 Ni O11 S |
Calculated formula | C29 H33 N7 Ni O11 S |
SMILES | [Ni]1234([O]=C(N[N]2=C(C(=[N]1O)C)C)c1ccccc1)[O]=C(N[N]4=C(C(=[N]3O)C)C)c1ccccc1.S(=O)(=O)([O-])[O-].ONC(=O)c1c(O)cccc1 |
Title of publication | Bis(butane-2,3-dione monooxime benzoylhydrazone-κ^3^<i>O,N,N</i>')nickel(II) sulfate salicylhydroxamic acid |
Authors of publication | Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | m1750 - m1751 |
a | 7.986 ± 0.002 Å |
b | 23.781 ± 0.005 Å |
c | 17.868 ± 0.004 Å |
α | 90° |
β | 102.82 ± 0.03° |
γ | 90° |
Cell volume | 3308.8 ± 1.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.101 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1354 |
Weighted residual factors for all reflections included in the refinement | 0.1519 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/2204612.html
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