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Information card for entry 7216357
Preview
Coordinates | 7216357.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Zn |
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Formula | C52 H52 Cl6 N4 O8 Zn2 |
Calculated formula | C52 H52 Cl6 N4 O8 Zn2 |
SMILES | c1cc2c3c(c1)c(ccc3)OCCOCCOCCOc1c3c(ccc1)c(ccc3)OCCOCCOCCO2.[n]1(ccc([n+]2ccc(c3cc[n+](cc3)c3cc[n](cc3)[Zn](Cl)(Cl)Cl)cc2)cc1)[Zn](Cl)(Cl)Cl |
Title of publication | Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes |
Authors of publication | Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 31 |
Pages of publication | 7320 |
a | 8.5117 ± 0.0003 Å |
b | 15.9674 ± 0.0005 Å |
c | 20.4293 ± 0.0006 Å |
α | 90° |
β | 97.588 ± 0.002° |
γ | 90° |
Cell volume | 2752.23 ± 0.15 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0763 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1497 |
Weighted residual factors for all reflections included in the refinement | 0.1617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
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/7216357.html
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