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Information card for entry 7216367
Preview
Coordinates | 7216367.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H52 Hg2 I6 N4 O8 |
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Calculated formula | C52 H52 Hg2 I6 N4 O8 |
SMILES | c1cc(ccn1)[n+]1ccc(c2cc[n+](c3ccncc3)cc2)cc1.I[Hg]1(I)[I][Hg]([I]1)(I)I.O1c2cccc3c2cccc3OCCOCCOCCOc2cccc3c2cccc3OCCOCCOCC1 |
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 | 10.039 ± 0.001 Å |
b | 11.7664 ± 0.0012 Å |
c | 13.0968 ± 0.0013 Å |
α | 93.757 ± 0.006° |
β | 106.866 ± 0.006° |
γ | 105.202 ± 0.007° |
Cell volume | 1411.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1297 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.252 |
Weighted residual factors for all reflections included in the refinement | 0.291 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/7216367.html
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Users of the data should acknowledge the original authors of the
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