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Information card for entry 2222310
Preview
Coordinates | 2222310.cif |
---|---|
Structure factors | 2222310.hkl |
Original IUCr paper | HTML |
Chemical name | (μ-Acetato){μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2-oxidophenyl)- 1,3-imidazolidine}dizinc(II) ethanol disolvate dihydrate |
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Formula | C33 H46 N4 O9 Zn2 |
Calculated formula | C33 H46 N4 O9 Zn2 |
SMILES | [Zn]1234[N](=Cc5c(cccc5)O2)CC[N]21CC[N]15[Zn]6(Oc7c(C=[N]6CC5)cccc7)([O]3c3c(C21)cccc3)[O]=C(C)O4.O.O.C(C)O.C(C)O |
Title of publication | (μ-Acetato){μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2-oxidophenyl)-1,3-imidazolidine}dizinc(II) ethanol disolvate dihydrate |
Authors of publication | Lu, Xiao-Ping; Zhu, Miao-Li; Lu, Li-Ping |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 7 |
Pages of publication | m729 - m730 |
a | 10.14 ± 0.003 Å |
b | 11.54 ± 0.004 Å |
c | 16.066 ± 0.005 Å |
α | 91.972 ± 0.006° |
β | 93.944 ± 0.005° |
γ | 110.833 ± 0.005° |
Cell volume | 1749.4 ± 1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1295 |
Weighted residual factors for all reflections included in the refinement | 0.1512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/2222310.html
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