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Information card for entry 4325511
Preview
| Coordinates | 4325511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H63 Ce2 N15 Ni2 O30 |
|---|---|
| Calculated formula | C48 H63 Ce2 N15 Ni2 O30 |
| SMILES | [N]12=Cc3cccc4[O]([Ce]5678([O](c34)[Ni]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)([N]#CC)[OH2])(ON(=[O]7)=O)(ON(=[O]8)=O)([OH2])[OH2])C.N#CC.N#CC.N(=O)(=O)[O-].[N]12=Cc3cccc4[O]([Ce]5678([O](c34)[Ni]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)([N]#CC)[N]#CC)([O]=N(=O)O7)(ON(=O)=O)(ON(=[O]8)=O)[OH2])C |
| Title of publication | Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative |
| Authors of publication | Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 5890 - 5898 |
| a | 17.9538 ± 0.0006 Å |
| b | 11.3152 ± 0.0004 Å |
| c | 32.2403 ± 0.0011 Å |
| α | 90° |
| β | 90.983 ± 0.003° |
| γ | 90° |
| Cell volume | 6548.7 ± 0.4 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0394 |
| Weighted residual factors for all reflections included in the refinement | 0.0381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325511.cif |
| 179358 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/55. |
4325511.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325511.cif |
| 44581 | 2012-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4325511 via cif-deposit CGI script. |
4325511.cif |
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Users of the data should acknowledge the original authors of the
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