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Information card for entry 4346812
Preview
| Coordinates | 4346812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H32 B2 Cu2 F8 N6 P2 |
|---|---|
| Calculated formula | C36 H32 B2 Cu2 F8 N6 P2 |
| SMILES | [B](F)(F)(F)[F-].c1cccc2[n]1[Cu]1([N]#CC)[n]3ccccc3[P]2(c2ccccc2)[Cu]2([n]3ccccc3[P]1(c1cccc[n]21)c1ccccc1)[N]#CC.[B](F)(F)(F)[F-] |
| Title of publication | Environmentally Friendly Mechanochemical Syntheses and Conversions of Highly Luminescent Cu(I) Dinuclear Complexes. |
| Authors of publication | Kobayashi, Atsushi; Hasegawa, Tatsuya; Yoshida, Masaki; Kato, Masako |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 1978 - 1985 |
| a | 8.748 ± 0.0012 Å |
| b | 9.7073 ± 0.0013 Å |
| c | 22.427 ± 0.003 Å |
| α | 90° |
| β | 91.322 ± 0.002° |
| γ | 90° |
| Cell volume | 1904 ± 0.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.173 |
| Weighted residual factors for all reflections included in the refinement | 0.1812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71075 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. |
4346812.cif |
| 231995 | 2019-11-23 | cif/ Adding structures of 4346808, 4346809, 4346810, 4346811, 4346812 via cif-deposit CGI script. |
4346812.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.