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Information card for entry 1558634
Preview
| Coordinates | 1558634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C240 H168 N12 O38 Pd2 |
|---|---|
| Calculated formula | C240 H168 N12 O38 Pd2 |
| Title of publication | An Atropisomeric M2L4 Cage Mixture Displaying Guest-Induced Convergence and Strong Guest Emission in Water |
| Authors of publication | Tsutsui, Takahiro; Catti, Lorenzo; Yoza, Kenji; Yoshizawa, Michito |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 20.0773 ± 0.0005 Å |
| b | 20.0773 ± 0.0005 Å |
| c | 23.9655 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9660.4 ± 0.5 Å3 |
| Cell temperature | 223 ± 1 K |
| Ambient diffraction temperature | 223 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.1256 |
| Residual factor for significantly intense reflections | 0.0991 |
| Weighted residual factors for significantly intense reflections | 0.2732 |
| Weighted residual factors for all reflections included in the refinement | 0.3162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.332 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254419 (current) | 2020-07-21 | cif/ Adding structures of 1558634 via cif-deposit CGI script. |
1558634.cif |
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Users of the data should acknowledge the original authors of the
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