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Information card for entry 4134428
Preview
Coordinates | 4134428.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H80 F24 Fe2 N20 P4 |
---|---|
Calculated formula | C84 H80 F24 Fe2 N20 P4 |
SMILES | Cc1ccc2cccc3[N]4[Fe]567([n]1c23)[n]1c(ccc(CCc2ccc3[n](c2)[Fe]289([n]%10c(C)ccc%11cccc([N]2=Cc2[n]8cc(cc2)CCc2c[n]7c(C=4)cc2)c%10%11)[N](=C3)c2cccc3ccc([n]9c23)C)c1)C=[N]5c1cccc2ccc([n]6c12)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.C(#N)C |
Title of publication | Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process. |
Authors of publication | Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 12 |
Pages of publication | 5819 - 5824 |
a | 13.065 ± 0.0004 Å |
b | 29.3865 ± 0.0009 Å |
c | 11.9523 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4588.9 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 34 |
Hermann-Mauguin space group symbol | P n n 2 |
Hall space group symbol | P 2 -2n |
Residual factor for all reflections | 0.069 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.1489 |
Weighted residual factors for all reflections included in the refinement | 0.1511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4134428.html
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Users of the data should acknowledge the original authors of the
structural data.