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Information card for entry 4339771
Preview
| Coordinates | 4339771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H91 Dy3 N26 O27 |
|---|---|
| Calculated formula | C62 H91 Dy3 N26 O27 |
| SMILES | [Dy]1234567([n]8c9cccc8C[NH]1[C@@H]1CCCC[C@H]1[NH]2Cc1[n]3c(ccc1)C[NH]4[C@@H]1CCCC[C@H]1[NH]5C9)(ON(=O)=[O]6)ON(=O)=[O]7.[Dy]1234567([n]8c9cccc8C[NH]1[C@@H]1CCCC[C@H]1[NH]2Cc1[n]3c(ccc1)C[NH]4[C@@H]1CCCC[C@H]1[NH]5C9)(ON(=O)=[O]6)ON(=O)=[O]7.[Dy]12345(ON(=O)=[O]1)(ON(=O)=[O]2)(ON(=O)=[O]3)([O]=N(=O)O4)ON(=O)=[O]5.N#CC.N#CC.N#CC.N#CC.N#CC |
| 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 | 11.98 ± 0.003 Å |
| b | 16.215 ± 0.004 Å |
| c | 21.707 ± 0.004 Å |
| α | 90° |
| β | 105.49 ± 0.03° |
| γ | 90° |
| Cell volume | 4063.5 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179500 (current) | 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. |
4339771.cif |
| 117531 | 2014-06-15 | cif/ Adding structures of 4339769, 4339770, 4339771, 4339772, 4339773, 4339774 via cif-deposit CGI script. |
4339771.cif |
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Users of the data should acknowledge the original authors of the
structural data.