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Information card for entry 2104982
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Coordinates | 2104982.cif |
---|---|
Original IUCr paper | HTML |
Formula | C46 H44 F10 O4 Ta2 |
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Calculated formula | C46 H44 F10 O4 Ta2 |
SMILES | c1(c(c(c(c(c1F)F)F)F)F)O[Ta]12345(O[Ta]6789(Cc%10ccccc%10)(Oc%10c(c(c(c(c%10F)F)F)F)F)(O1)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)(Cc1ccccc1)[c]1([c]2([c]4([c]5(C)[c]31C)C)C)C |
Title of publication | Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol |
Authors of publication | Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | 416 - 424 |
a | 9.239 ± 0.002 Å |
b | 11.647 ± 0.002 Å |
c | 11.803 ± 0.002 Å |
α | 117.25 ± 0.03° |
β | 96.37 ± 0.03° |
γ | 106.63 ± 0.03° |
Cell volume | 1037.3 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0782 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for all reflections | 0.189 |
Weighted residual factors for all reflections included in the refinement | 0.1824 |
Goodness-of-fit parameter for all reflections | 1.022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/2104982.html
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Users of the data should acknowledge the original authors of the
structural data.