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Information card for entry 2219168
Preview
Coordinates | 2219168.cif |
---|---|
Structure factors | 2219168.hkl |
Original IUCr paper | HTML |
Chemical name | Bis{μ-2-(1<i>H</i>-indol-3-yl)-N'-[1-(5-methyl-2- oxidophenyl)ethylidene]acetohydrazidato}bis[aquazinc(II)] dimethyl sulfoxide tetrasolvate |
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Formula | C46 H62 N6 O10 S4 Zn2 |
Calculated formula | C46 H62 N6 O10 S4 Zn2 |
SMILES | c12ccc(cc1C(C)=[N]1N=C(O[Zn]31([O]2[Zn]12([N](=C(c4c(ccc(c4)C)[O]31)C)N=C(O2)Cc1c[nH]c2c1cccc2)[OH2])[OH2])Cc1c[nH]c2c1cccc2)C.O=S(C)C.S(C)(C)=O.O=S(C)C.O=S(C)C |
Title of publication | Bis{μ-2-(1<i>H</i>-indol-3-yl)-<i>N</i>'-[1-(5-methyl-2-oxidophenyl)ethylidene]acetohydrazidato}bis[aquazinc(II)] dimethyl sulfoxide tetrasolvate |
Authors of publication | Zuraini, Kadir; Ali, Hapipah M.; Puvaneswary, Subramaniam; Robinson, Ward T.; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 8 |
Pages of publication | m1047 |
a | 8.5271 ± 0.0002 Å |
b | 8.8849 ± 0.0003 Å |
c | 16.8279 ± 0.0005 Å |
α | 85.519 ± 0.002° |
β | 84.92 ± 0.002° |
γ | 84.251 ± 0.002° |
Cell volume | 1260.44 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1039 |
Residual factor for significantly intense reflections | 0.0562 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Weighted residual factors for all reflections included in the refinement | 0.1574 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
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/2219168.html
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Users of the data should acknowledge the original authors of the
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