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Information card for entry 1551592
Preview
| Coordinates | 1551592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H46 B2 Cl2 Cu2 F8 N6 O5 |
|---|---|
| Calculated formula | C35 H46 B2 Cl2 Cu2 F8 N6 O5 |
| SMILES | [Cu]12(OC(=O)C)([OH2])[n]3ccccc3C[N]2(Cc2[n]1cccc2)CCCCCC[N]12[Cu]([F][B](F)(F)F)(OC(=O)C)([n]3ccccc3C1)[n]1ccccc1C2.ClCCl.[B](F)(F)(F)[F-] |
| Title of publication | Synthesis and Crystal Structure of a Dinuclear Cu(II) Complex with <i>N,N,N</i>′,<i>N</i>′-Tetrakis(2-pyridylmethyl)-1,6-hexanediamine |
| Authors of publication | UMEMOTO, Yusuke; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2017 |
| Journal volume | 33 |
| Journal issue | 0 |
| Pages of publication | 65 |
| a | 8.4305 ± 0.0016 Å |
| b | 27.302 ± 0.005 Å |
| c | 19.131 ± 0.004 Å |
| α | 90° |
| β | 102.724 ± 0.002° |
| γ | 90° |
| Cell volume | 4295.2 ± 1.4 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 8 |
| 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 | 0.0908 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1793 |
| Weighted residual factors for all reflections included in the refinement | 0.1976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551592.cif |
| 216202 | 2019-06-20 | cif/ Adding structures of 1551592 via cif-deposit CGI script. |
1551592.cif |
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