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Information card for entry 4500899
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Coordinates | 4500899.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | ethoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V) |
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Formula | C17 H18 N3 O4 S V |
Calculated formula | C17 H18 N3 O4 S V |
SMILES | [V]12(SC(Nc3ccccc3)=N[N]2=Cc2c(O1)cc(OC)cc2)(=O)OCC |
Title of publication | Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality |
Authors of publication | Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 5227 |
a | 7.2239 ± 0.0011 Å |
b | 9.693 ± 0.002 Å |
c | 13.592 ± 0.003 Å |
α | 87.323 ± 0.018° |
β | 86.732 ± 0.015° |
γ | 71.447 ± 0.017° |
Cell volume | 900.4 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1048 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.886 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4500899.html
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