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Information card for entry 7233591
Preview
| Coordinates | 7233591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H68 Cl2 N4 Zn |
|---|---|
| Calculated formula | C60 H68 Cl2 N4 Zn |
| Title of publication | Metal-induced dimensionality tuning in a series of bipyrimidine-based ligands: a tool to enhance two-photon absorption |
| Authors of publication | Paul Savel; Huriye Akdas-Kilig; Jean-Pierre Malval; Arnaud Spangenberg; Thierry Roisnel; Jean-Luc Fillaut |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 295 - 305 |
| a | 27.239 ± 0.003 Å |
| b | 26.022 ± 0.003 Å |
| c | 15.3824 ± 0.0015 Å |
| α | 90° |
| β | 101.558 ± 0.006° |
| γ | 90° |
| Cell volume | 10682 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2031 |
| Residual factor for significantly intense reflections | 0.1049 |
| Weighted residual factors for significantly intense reflections | 0.3045 |
| Weighted residual factors for all reflections included in the refinement | 0.354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217881 (current) | 2019-08-30 | cif/ Adding structures of 7233591 via cif-deposit CGI script. |
7233591.cif |
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Users of the data should acknowledge the original authors of the
structural data.