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Information card for entry 4109221
Preview
Coordinates | 4109221.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound X |
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Formula | C42 H37 Br N4 O6 U |
Calculated formula | C42 H37 Br N4 O6 U |
SMILES | c12c(cccc1)[N]1=Cc3c(c(ccc3)OCc3ccccc3)O[U]31([N]2=Cc1c(c(ccc1)OCc1ccccc1)O3)(=O)(=O)Br.c1cccc[n+]1C.N#CC |
Title of publication | Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State |
Authors of publication | Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 3641 - 3648 |
a | 35.56 ± 0.001 Å |
b | 9.6555 ± 0.0003 Å |
c | 24.1012 ± 0.0008 Å |
α | 90° |
β | 112.397 ± 0.002° |
γ | 90° |
Cell volume | 7650.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1126 |
Residual factor for significantly intense reflections | 0.0729 |
Weighted residual factors for significantly intense reflections | 0.1458 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
Diffraction radiation wavelength | 0.71069 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/4109221.html
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