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Information card for entry 1514289
Preview
Coordinates | 1514289.cif |
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Original paper (by DOI) | HTML |
Common name | (4,8,14,18,23,27-hexa-azonia-1,11-diaza-6(9,10)-anthracena-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane perrhenate clathrate) penta(triflate) heptahydrate |
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Formula | C49 H78 F15 N8 O26 Re S5 |
Calculated formula | C49 H64 F15 N8 O26 Re S5 |
SMILES | [Re](=O)(=O)(=O)[O-].C1C[NH2+]Cc2ccc(cc2)C[NH2+]CCN2CC[NH2+]Cc3ccc(C[NH2+]CCN1CC[NH2+]Cc1c4ccccc4c(c4ccccc14)C[NH2+]CC2)cc3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.O.O.O.O.O.O |
Title of publication | Fluorescent sensing of 99Tc pertechnetate in water |
Authors of publication | Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 5 |
Pages of publication | 1820 |
a | 12.949 ± 0.002 Å |
b | 17.658 ± 0.003 Å |
c | 32.897 ± 0.005 Å |
α | 90° |
β | 90.081 ± 0.005° |
γ | 90° |
Cell volume | 7522 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.093 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Weighted residual factors for all reflections included in the refinement | 0.1786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/1514289.html
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Users of the data should acknowledge the original authors of the
structural data.