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Information card for entry 7719625
Preview
| Coordinates | 7719625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C179.68 H211.68 N41.68 O50 Pd3 S0.32 |
|---|---|
| Calculated formula | C179.678 H211.678 N41.678 O50 Pd3 S0.322 |
| Title of publication | Isomeric double-cavity coordination cages: to encapsulate or not to encapsulate the guest |
| Authors of publication | Kumar, Ashish; Krishnaswamy, Shobhana; Chand, Dillip Kumar |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 16.1376 ± 0.0007 Å |
| b | 17.9172 ± 0.0008 Å |
| c | 18.0758 ± 0.0009 Å |
| α | 115.861 ± 0.002° |
| β | 93.694 ± 0.002° |
| γ | 98.456 ± 0.002° |
| Cell volume | 4603.1 ± 0.4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302890 (current) | 2025-10-16 | cif/ Adding structures of 7719624, 7719625, 7719626 via cif-deposit CGI script. |
7719625.cif |
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