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Information card for entry 1548504
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Coordinates | 1548504.cif |
---|
Formula | C40 H31 Ag Cl N O4 P2 |
---|---|
Calculated formula | C40 H31 Ag Cl N O4 P2 |
SMILES | [Ag]([P](c1c2ccccc2c(P(c2ccccc2)c2ccccc2)c2ccccc12)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1c2c(c([P]([Ag][N]#CC)(c3ccccc3)c3ccccc3)c3c1cccc3)cccc2)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules |
Authors of publication | Lin Rong Er |
Journal of publication | Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE |
Year of publication | 2005 |
Pages of publication | 1 |
a | 9.7009 ± 0.0006 Å |
b | 14.5954 ± 0.001 Å |
c | 24.0063 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3399 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.1853 |
Weighted residual factors for all reflections included in the refinement | 0.192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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