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Information card for entry 4339773
Preview
| Coordinates | 4339773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H44 N9 O12 Yb |
|---|---|
| Calculated formula | C26 H44 N9 O12 Yb |
| SMILES | [Yb]12345([n]6c7cccc6C[NH]1[C@@H]1CCCC[C@H]1[NH]2Cc1cccc(C[NH]4[C@@H]2CCCC[C@H]2[NH]5C7)[n]31)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O |
| Title of publication | Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion. |
| Authors of publication | Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 19 |
| Pages of publication | 7923 - 7934 |
| a | 10.701 ± 0.003 Å |
| b | 12.479 ± 0.003 Å |
| c | 24.07 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3214.3 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0377 |
| Weighted residual factors for all reflections included in the refinement | 0.038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339773.cif |
| 179500 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97. |
4339773.cif |
| 117531 | 2014-06-15 | cif/ Adding structures of 4339769, 4339770, 4339771, 4339772, 4339773, 4339774 via cif-deposit CGI script. |
4339773.cif |
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Users of the data should acknowledge the original authors of the
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