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Information card for entry 7242026
Preview
| Coordinates | 7242026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H46.5 Na4 O16.25 |
|---|---|
| Calculated formula | C50 H46 Na4 O16.25 |
| Title of publication | Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals |
| Authors of publication | Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 82 - 90 |
| a | 22.8138 ± 0.0011 Å |
| b | 7.9496 ± 0.0004 Å |
| c | 26.091 ± 0.0011 Å |
| α | 90° |
| β | 96.564 ± 0.004° |
| γ | 90° |
| Cell volume | 4700.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.14 K |
| Ambient diffraction temperature | 150 ± 0.14 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1475 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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 |
|---|---|---|---|
| 260852 (current) | 2021-01-08 | cif/ Adding structures of 7242024, 7242025, 7242026 via cif-deposit CGI script. |
7242026.cif |
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Users of the data should acknowledge the original authors of the
structural data.