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Information card for entry 7057451
Preview
Coordinates | 7057451.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H29 Cr N6 O21.5 Ta |
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Calculated formula | C39 H29 Cr N6 O21.5 Ta |
Title of publication | First crystal structures of oxo-bridged [CrIIITaV] dinuclear complexes: spectroscopic, magnetic and theoretical investigations of the Cr‒O‒Ta core |
Authors of publication | Androš Dubraja, Lidija; Jurić, Marijana; Lafargue-Dit-Hauret, William; Pajić, Damir; Zorko, Andrej; Ozarowski, Andrew; Rocquefelte, Xavier |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 13 |
Pages of publication | 10912 |
a | 10.798 ± 0.002 Å |
b | 10.916 ± 0.002 Å |
c | 18.81 ± 0.003 Å |
α | 88.151 ± 0.008° |
β | 82.753 ± 0.008° |
γ | 78.767 ± 0.009° |
Cell volume | 2157.2 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0517 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.1099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation probe | x-ray |
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.
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