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Information card for entry 1575539
Preview
| Coordinates | 1575539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C224 H280 Cs0.48 N43 O49 Pd8 |
|---|---|
| Calculated formula | C224 H280 Cs0.482 N43 O49 Pd8 |
| Title of publication | Hosting of [Cs(Crown ether)2]+ type Host-Guest Complexes by a Nano-Sized Molecular Cuboid |
| Authors of publication | Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 20.772 ± 0.0018 Å |
| b | 21.4093 ± 0.0019 Å |
| c | 22.903 ± 0.002 Å |
| α | 70.951 ± 0.003° |
| β | 69.338 ± 0.003° |
| γ | 64.414 ± 0.002° |
| Cell volume | 8410.9 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1559 |
| Residual factor for significantly intense reflections | 0.0995 |
| Weighted residual factors for significantly intense reflections | 0.2729 |
| Weighted residual factors for all reflections included in the refinement | 0.3382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301896 (current) | 2025-08-27 | cif/ Adding structures of 1575536, 1575537, 1575538, 1575539 via cif-deposit CGI script. |
1575539.cif |
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Users of the data should acknowledge the original authors of the
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