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Information card for entry 4072242
Preview
Coordinates | 4072242.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H55 F3 N2 O16 S Ta2 |
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Calculated formula | C43 H55 F3 N2 O16 S Ta2 |
SMILES | [Ta]12345678([OH][Ta]9%10%11%12%13%14([n]%15c(C(=O)O%10)cccc%15C(=O)O%11)([OH]3)([OH]4)[c]3([c]%12([c]%13([c]%14([c]93C)C)C)C)C)([n]3c(C(=O)O2)cccc3C(=O)O1)[c]1([c]6([c]7([c]8([c]51C)C)C)C)C.C(S(=O)(=O)[O-])(F)(F)F.O1CCCC1.O1CCCC1 |
Title of publication | Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide |
Authors of publication | Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 23 |
Pages of publication | 6090 |
a | 16.414 ± 0.003 Å |
b | 13.115 ± 0.002 Å |
c | 22.553 ± 0.004 Å |
α | 90° |
β | 106.737 ± 0.003° |
γ | 90° |
Cell volume | 4649.3 ± 1.4 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 | 0.1177 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.1352 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4072242.html
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Users of the data should acknowledge the original authors of the
structural data.