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Information card for entry 7116828
Preview
Coordinates | 7116828.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H60 F12 N12 O12 Zn2 |
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Calculated formula | C88 H60 F12 N12 O12 Zn2 |
SMILES | [Zn]1234([n]5c6c7[n]1c1ccc7ccc6ccc5C=[N]4Cc4ccc(OCc5cc[n]6[Zn]78([n]9c%10c%11[n]7c7ccc%11ccc%10ccc9C=[N]8Cc8ccc(OCc9cc([n]2cc9)c2[n]3ccc(COc3ccc(CN=C7)cc3)c2)cc8)([n]2c(c6c5)cc(cc2)COc2ccc(cc2)CN=C1)OC(=O)C(F)(F)F)cc4)OC(=O)C(F)(F)F.O=C([O-])C(F)(F)F.[O-]C(=O)C(F)(F)F |
Title of publication | Dynamic stereoisomerization in inherently chiral bimetallic [2]catenanes |
Authors of publication | Prakasam, Thirumurugan; Lusi, Matteo; Nauha, Elisa; Olsen, John-Carl; Sy, Mohamadou; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Trabolsi, Ali |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 27 |
Pages of publication | 5840 - 5843 |
a | 8.1943 ± 0.0005 Å |
b | 26.8625 ± 0.0017 Å |
c | 42.167 ± 0.003 Å |
α | 90° |
β | 90.213 ± 0.003° |
γ | 90° |
Cell volume | 9281.7 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1161 |
Residual factor for significantly intense reflections | 0.0928 |
Weighted residual factors for significantly intense reflections | 0.2499 |
Weighted residual factors for all reflections included in the refinement | 0.2648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/7116828.html
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