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Information card for entry 4330259
Preview
| Coordinates | 4330259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H80 Cu4 Dy2 N11 O45 |
|---|---|
| Calculated formula | C60 H80 Cu4 Dy2 N11 O45 |
| SMILES | c1cccc2CC[O]3[Cu]4([O]=Cc5c6[O]4[Dy]473([O]3CCc8[n](cccc8)[Cu]83([O]4c3c(cccc3[O]7C)C=[O]8)[OH2])([O](c6ccc5)C)([OH2])[OH2])([O](N(=O)=O)[Cu]345[O]6c7c(cccc7[O](C)[Dy]786([O]4CCc4cccc[n]34)([O]3CCc4[n](cccc4)[Cu]43([O]=Cc3c([O]84)c([O]7C)ccc3)[OH2])([OH2])[OH2])C=[O]5)[n]12.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
| Title of publication | Nitrate-Bridged "Pseudo-Double-Propeller"-Type Lanthanide(III)-Copper(II) Heterometallic Clusters: Syntheses, Structures, and Magnetic Properties |
| Authors of publication | Abhijeet K. Chaudhari; Biplab Joarder; Eric Rivière; Guillaume Rogez; Sujit K. Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 9159 - 9161 |
| a | 27.03 ± 0.005 Å |
| b | 17.193 ± 0.005 Å |
| c | 17.594 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 99.054 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 8075 ± 4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1687 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71069 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. |
4330259.cif |
| 179405 | 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 4/33/02. |
4330259.cif |
| 79510 | 2013-04-05 | cif/ Adding structures of 4330259 via cif-deposit CGI script. |
4330259.cif |
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Users of the data should acknowledge the original authors of the
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