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Information card for entry 4513237
Preview
| Coordinates | 4513237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1 (second modification) in manuscript |
|---|---|
| Formula | C52 H32 N4 Si |
| Calculated formula | C52 H32 N4 Si |
| SMILES | [Si](c1ccc(cc1)C#Cc1ccncc1)(c1ccc(cc1)C#Cc1ccncc1)(c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1 |
| 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 | 9.0422 ± 0.0006 Å |
| b | 29.432 ± 0.002 Å |
| c | 15.6532 ± 0.0011 Å |
| α | 90° |
| β | 104.306 ± 0.0019° |
| γ | 90° |
| Cell volume | 4036.6 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4513237.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. |
4513237.cif |
| 139406 | 2015-06-20 | cif/ Adding structures of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 via cif-deposit CGI script. |
4513237.cif |
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Users of the data should acknowledge the original authors of the
structural data.