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Information card for entry 4340702
Preview
| Coordinates | 4340702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H42 Cu2 N10 O2 |
|---|---|
| Calculated formula | C34 H42 Cu2 N10 O2 |
| SMILES | c12c3ccccc3ccc1C(=[N]1CCC[N](C)(C)[Cu]31(O2)[N](=N#N)[Cu]12([N]3=N#N)[N](=C(c3c(c4ccccc4cc3)O2)C)CCC[N]1(C)C)C |
| Title of publication | Field-Induced Ferromagnetism and Multiferroic Behavior in End-on Pseudohalide-Bridged Dinuclear Copper(II) Complexes with Tridentate Schiff Base Blocking Ligands. |
| Authors of publication | Jana, Subrata; Shaw, Bikash Kumar; Bhowmik, Prasanta; Harms, Klaus; Drew, Michael G. B.; Chattopadhyay, Shouvik; Saha, Shyamal Kumar |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 8723 - 8734 |
| a | 10.4117 ± 0.0004 Å |
| b | 14.8906 ± 0.0006 Å |
| c | 11.9038 ± 0.0005 Å |
| α | 90° |
| β | 113.976 ± 0.005° |
| γ | 90° |
| Cell volume | 1686.28 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4340702.cif |
| 179510 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/07. |
4340702.cif |
| 122900 | 2014-09-06 | cif/ Updating files of 4340701, 4340702, 4340703, 4340704 Original log message: Adding full bibliography for 4340701--4340704.cif. |
4340702.cif |
| 122012 | 2014-08-18 | cif/ Adding structures of 4340701, 4340702, 4340703, 4340704 via cif-deposit CGI script. |
4340702.cif |
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