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Information card for entry 4133664
Preview
| Coordinates | 4133664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H72 N6 O12 Zn2 |
|---|---|
| Calculated formula | C66 H54 N4 O10 Zn2 |
| Title of publication | Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks. |
| Authors of publication | Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 29 |
| Pages of publication | 11594 - 11602 |
| a | 21.714 ± 0.002 Å |
| b | 10.0036 ± 0.001 Å |
| c | 15.182 ± 0.0016 Å |
| α | 90° |
| β | 99.158 ± 0.003° |
| γ | 90° |
| Cell volume | 3255.8 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243401 (current) | 2019-11-26 | cif/ Adding structures of 4133664 via cif-deposit CGI script. |
4133664.cif |
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Users of the data should acknowledge the original authors of the
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