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Information card for entry 4328560
Preview
Coordinates | 4328560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H52 Cl6 Hg2 N4 O8 |
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Calculated formula | C52 H52 Cl6 Hg2 N4 O8 |
SMILES | n1ccc(cc1)[n+]1ccc(c2cc[n+](c3ccncc3)cc2)cc1.O1c2cccc3c2cccc3OCCOCCOCCOc2cccc3c2cccc3OCCOCCOCC1.[Cl]1[Hg](Cl)(Cl)[Cl][Hg]1(Cl)Cl |
Title of publication | Blue-Colored, Linear Rigid-Axle [2]Pseudorotaxanes: Metal-Binding Properties, Crystal Structures, and Blue/Red Dichroism |
Authors of publication | Isurika R. Fernando; Gellert Mezei |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 3156 - 3160 |
a | 9.7025 ± 0.0002 Å |
b | 11.5838 ± 0.0003 Å |
c | 12.6269 ± 0.0003 Å |
α | 98.55 ± 0.001° |
β | 103.965 ± 0.001° |
γ | 101.351 ± 0.001° |
Cell volume | 1321.26 ± 0.05 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 | 0.0626 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4328560.html
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