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Information card for entry 4513238
Preview
| Coordinates | 4513238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3 in manuscript |
|---|---|
| Formula | C44 H52 Si5 |
| Calculated formula | C44 H52 Si5 |
| Title of publication | Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand |
| Authors of publication | Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 7 |
| Pages of publication | 3539 |
| a | 14.5595 ± 0.0019 Å |
| b | 14.5595 ± 0.0019 Å |
| c | 22.373 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4742.6 ± 1.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.098 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.1869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513238.cif |
| 140066 | 2015-07-05 | cif/ Updating files of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 Original log message: Adding full bibliography for 4513232--4513239.cif. |
4513238.cif |
| 139406 | 2015-06-20 | cif/ Adding structures of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 via cif-deposit CGI script. |
4513238.cif |
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Users of the data should acknowledge the original authors of the
structural data.