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Information card for entry 2217628
Preview
Coordinates | 2217628.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Di-μ-hydroxido-κ^4^O:O-μ-trifluoromethanesulfonato-κ^2^O:O'-bis[(5,5'- dimethyl-2,2-bipyridine-κ^2^N,N')(η^5^- pentamethylcyclopentadienyl)ytterbium(III)] tetraphenylborate 5,5'-dimethyl-2,2-bipyridine |
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Formula | C81 H88 B F3 N6 O5 S Yb2 |
Calculated formula | C81 H88 B F3 N6 O5 S Yb2 |
SMILES | [Yb]1234567([OH][Yb]89%10%11%12([OH]1)(OS(=[O]2)(=O)C(F)(F)F)([n]1cc(ccc1c1[n]9cc(cc1)C)C)[c]1([c]8([c]%12([c]%11([c]%101C)C)C)C)C)([n]1cc(ccc1c1[n]4cc(cc1)C)C)[c]1([c]5([c]6([c]7([c]31C)C)C)C)C.n1cc(ccc1c1ncc(cc1)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>'-bis[(5,5'-dimethyl-2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)ytterbium(III)] tetraphenylborate 5,5'-dimethyl-2,2-bipyridine |
Authors of publication | Daniel Kazhdan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 2 |
Pages of publication | m435 - m435 |
a | 13.0458 ± 0.0008 Å |
b | 13.7179 ± 0.0009 Å |
c | 23.3306 ± 0.0015 Å |
α | 87.215 ± 0.001° |
β | 86.669 ± 0.001° |
γ | 68.161 ± 0.001° |
Cell volume | 3867.4 ± 0.4 Å3 |
Cell temperature | 130 ± 1 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.085 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for all reflections | 0.0463 |
Weighted residual factors for all reflections included in the refinement | 0.0395 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.385 |
Diffraction radiation wavelength | 0.7107 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/2217628.html
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