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Information card for entry 7017314
Preview
Coordinates | 7017314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H52 N8 O18 V6 |
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Calculated formula | C46 H52 N8 O18 V6 |
SMILES | c1cccc2c3cccc[n]3[V]34([n]12)([O]1[V](=O)([O]3C)(=O)[O]([V]21([n]1ccccc1c1[n]2cccc1)(=O)O[V]12([n]3ccccc3c3cccc[n]13)([O]1[V](=O)(=O)([O]2C)[O]([V]21([n]1ccccc1c1[n]2cccc1)(=O)O4)C)=O)C)=O.OC.OC |
Title of publication | Synthetically persistent, self assembled [V(IV)(2)V(V)(4)] polyoxovanadates: Facile synthesis, structure and magnetic analysis. |
Authors of publication | Marino, Nadia; Lloret, Francisco; Julve, Miguel; Doyle, Robert P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12248 - 12256 |
a | 9.8178 ± 0.0007 Å |
b | 17.4725 ± 0.0012 Å |
c | 15.6874 ± 0.0011 Å |
α | 90° |
β | 106.122 ± 0.001° |
γ | 90° |
Cell volume | 2585.2 ± 0.3 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0495 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/7017314.html
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Users of the data should acknowledge the original authors of the
structural data.