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Information card for entry 7033210
Preview
| Coordinates | 7033210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H16 Cl3 F N4 |
|---|---|
| Calculated formula | C24 H16 Cl3 F N4 |
| SMILES | Fc1ccc(cc1)c1c2[nH]c(nc2c(cc1)c1ccncc1)c1ccncc1.C(Cl)(Cl)Cl |
| Title of publication | Assembly of a M4L4 "folded-cube" using a T-shaped, right-angled ligand. |
| Authors of publication | Elguraish, Ismail; Zhu, Kelong; Hernandez, Leslie A.; Amarne, Hazem; Luo, Jingwei; Vukotic, V. Nicholas; Loeb, Stephen J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 3 |
| Pages of publication | 898 - 902 |
| a | 9.0898 ± 0.0003 Å |
| b | 10.2902 ± 0.0003 Å |
| c | 13.0414 ± 0.0004 Å |
| α | 80.2999 ± 0.0011° |
| β | 89.0859 ± 0.0011° |
| γ | 64.1607 ± 0.001° |
| Cell volume | 1079.91 ± 0.06 Å3 |
| Ambient diffraction temperature | 173.15 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0513 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7033210.cif |
| 180038 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/32. |
7033210.cif |
| 131056 | 2015-02-04 | cif/ Updating files of 7033210 Original log message: Adding full bibliography for 7033210.cif. |
7033210.cif |
| 127803 | 2014-11-22 | cif/ Adding structures of 7033210 via cif-deposit CGI script. |
7033210.cif |
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