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Information card for entry 7119061
Preview
| Coordinates | 7119061.cif |
|---|---|
| External links | PubChem |
| Formula | C41 H38 Dy F9 N14 O9 S3 |
|---|---|
| Calculated formula | C41 H38 Dy F9 N14 O9 S3 |
| SMILES | [Dy]1234([n]5c(cccc5C(=[N]3Nc3ncccc3)C)C(=[N]1Nc1[n]2cccc1)C)[N](Nc1ncccc1)=C(c1nc(ccc1)C(=[N]4Nc1ncccc1)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Lanthanoid single-ion magnets with the LnN10 coordination geometry |
| Authors of publication | Zhong-Xia Jiang; Jun-Liang Liu; Yan-Cong Chen; Jiang Liu; Jian-Hua Jia; Ming-Liang Tong |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6261 |
| a | 20.8179 ± 0.0009 Å |
| b | 19.5864 ± 0.001 Å |
| c | 24.4923 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9986.7 ± 0.9 Å3 |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.129 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7119061.cif |
| 191065 | 2017-01-29 | cif/7/ (antanas@kurmis) Changing the data item names _geom_angle_atom_site_symbol_1, _geom_angle_atom_site_symbol_2, _geom_angle_atom_site_symbol_3, _geom_bond_atom_site_symbol_1, _geom_bond_atom_site_symbol_2, _geom_torsion_atom_site_symbol_1, _geom_torsion_atom_site_symbol_2, _geom_torsion_atom_site_symbol_3, _geom_torsion_atom_site_symbol_4 to _geom_angle_atom_site_label_1, _geom_angle_atom_site_label_2, _geom_angle_atom_site_label_3, _geom_bond_atom_site_label_1, _geom_bond_atom_site_label_2, _geom_torsion_atom_site_label_1, _geom_torsion_atom_site_label_2, _geom_torsion_atom_site_label_3, _geom_torsion_atom_site_label_4 in entries 7119061, 7219921, 7219927. |
7119061.cif |
| 184029 | 2016-06-28 | cif/ Adding structures of 7119061, 7119062 via cif-deposit CGI script. |
7119061.cif |
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