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Information card for entry 4500561
Preview
| Coordinates | 4500561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H32 N6 |
|---|---|
| Calculated formula | C26 H32 N6 |
| SMILES | c12c(cn(c3cc(ncn3)n3cc4c([C@@]5(CC[C@H]4C5(C)C)C)n3)n2)[C@H]2CC[C@@]1(C2(C)C)C |
| Title of publication | Ag(I) and Cu(I) [2 × 2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation |
| Authors of publication | Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1766 |
| a | 8.6671 ± 0.0006 Å |
| b | 11.678 ± 0.001 Å |
| c | 19.4868 ± 0.0017 Å |
| α | 81.592 ± 0.004° |
| β | 80.848 ± 0.004° |
| γ | 68.625 ± 0.004° |
| Cell volume | 1804.9 ± 0.3 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1466 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.2226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4500561.cif |
| 179536 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05. |
4500561.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500561.cif |
| 34549 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500561, 4500562, 4500563 via cif-deposit CGI script. |
4500561.cif |
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