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Information card for entry 4070191
Preview
Coordinates | 4070191.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H34 F3 N2 O9 S Ta |
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Calculated formula | C24 H34 F3 N2 O9 S Ta |
SMILES | C1(=O)c2cccc3C(O[Ta]45678(C(C)=[N]8C(C)(C)C)([c]8([c]7([c]6([c]5([c]48C)C)C)C)C)(O1)([OH2])[n]23)=O.C(F)(F)(F)S(=O)(=O)[O-].O |
Title of publication | Synthesis and Reactivity of Tantalum Complexes Supported by the Pincer Ligand 2,6-Pyridinedicarboxylate. Preparation of an Unprecedented Water-Soluble Iminoacyl Complex |
Authors of publication | Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 18 |
Pages of publication | 5505 |
a | 12.9861 ± 0.0011 Å |
b | 8.9104 ± 0.0008 Å |
c | 24.942 ± 0.002 Å |
α | 90° |
β | 90.049 ± 0.001° |
γ | 90° |
Cell volume | 2886.1 ± 0.4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0814 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1333 |
Weighted residual factors for all reflections included in the refinement | 0.1491 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/4070191.html
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Users of the data should acknowledge the original authors of the
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