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Information card for entry 4133666
Preview
| Coordinates | 4133666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H66.5 Cl1.5 N2 O8 |
|---|---|
| Calculated formula | C62 H48 N2 O8 |
| 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 | 10.0386 ± 0.0007 Å |
| b | 16.5446 ± 0.0011 Å |
| c | 17.6418 ± 0.001 Å |
| α | 100.011 ± 0.002° |
| β | 104.223 ± 0.002° |
| γ | 90.103 ± 0.002° |
| Cell volume | 2793.9 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| 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 |
|---|---|---|---|
| 243403 (current) | 2019-11-26 | cif/ Adding structures of 4133666 via cif-deposit CGI script. |
4133666.cif |
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Users of the data should acknowledge the original authors of the
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