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Information card for entry 3500123
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| Coordinates | 3500123.cif |
|---|---|
| Structure factors | 3500123.hkl |
| Formula | C30 H44 La2 N24 O19 |
|---|---|
| Calculated formula | C30 H44 La2 N24 O19 |
| Authors of publication | Noelia Santamaría; Miguel Quirós; Juan M. Salas |
| Journal of publication | Personal communication to COD |
| Year of publication | 2022 |
| a | 20.6591 ± 0.0014 Å |
| b | 11.7739 ± 0.0008 Å |
| c | 29.897 ± 0.002 Å |
| α | 90° |
| β | 107.089 ± 0.001° |
| γ | 90° |
| Cell volume | 6951 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0849 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274664 (current) | 2022-04-25 | cif/ hkl/ Adding structures of 3500123 via cif-deposit CGI script. |
3500123.cif 3500123.hkl |
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Users of the data should acknowledge the original authors of the
structural data.