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Information card for entry 4501757
Preview
| Coordinates | 4501757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H33 Co6 N3 O21 |
|---|---|
| Calculated formula | C42 H33 Co6 N3 O21 |
| SMILES | C1[C]23=[C]4(CC(C)(C)C(=O)NC[C]56=[C]7(CC(C)(C)C(=O)NC[C]89=[C]%10(CC(C)(C)C(=O)N1)[Co]8(C#[O])(C#[O])(C#[O])[Co]9%10(C#[O])(C#[O])C#[O])[Co]5(C#[O])(C#[O])(C#[O])[Co]67(C#[O])(C#[O])C#[O])[Co]2(C#[O])(C#[O])(C#[O])[Co]34(C#[O])(C#[O])C#[O] |
| Title of publication | Hierarchical Self-Assembly of Lactams into Supramolecular CO-Spiked “Sea Urchins” and Then into a Channeled Crystal |
| Authors of publication | Baillargeon, Pierre; Fortin, Daniel; Dory, Yves L. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 4357 |
| a | 13.031 ± 0.012 Å |
| b | 13.949 ± 0.018 Å |
| c | 15.014 ± 0.015 Å |
| α | 87.18 ± 0.1° |
| β | 89.84 ± 0.09° |
| γ | 67.17 ± 0.09° |
| Cell volume | 2512 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3738 |
| Residual factor for significantly intense reflections | 0.1246 |
| Weighted residual factors for significantly intense reflections | 0.2556 |
| Weighted residual factors for all reflections included in the refinement | 0.3338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.85 |
| Diffraction radiation wavelength | 1.54176 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179548 (current) | 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 4/50/17. |
4501757.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501757.cif |
| 36089 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501757 via cif-deposit CGI script. |
4501757.cif |
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Users of the data should acknowledge the original authors of the
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