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Information card for entry 4346078
Preview
| Coordinates | 4346078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C106 H86 Cl8 Cu6 F12 N4 P8 |
|---|---|
| Calculated formula | C106 H86 Cl8 Cu6 F12 N4 P8 |
| SMILES | C12[P](c3ccccc3)(c3ccccc3)[Cu]34[C]56#Cc7cccc[n]7[Cu]([C]4#Cc4[n](cccc4)[Cu]4[C]73#Cc3cccc[n]3[Cu]3[C](#Cc8[n](cccc8)[Cu]5[P]2(c2ccccc2)c2ccccc2)[Cu]67[P](C([P]3(c2ccccc2)c2ccccc2)[P]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P]1(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
| Title of publication | Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters. |
| Authors of publication | Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 17 |
| Pages of publication | 8288 - 8297 |
| a | 14.1905 ± 0.0004 Å |
| b | 15.7189 ± 0.0004 Å |
| c | 23.2832 ± 0.0007 Å |
| α | 90° |
| β | 94.333 ± 0.001° |
| γ | 90° |
| Cell volume | 5178.7 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1262 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
4346078.cif |
| 231607 | 2019-11-22 | cif/ Adding structures of 4346071, 4346072, 4346073, 4346074, 4346075, 4346076, 4346077, 4346078, 4346079 via cif-deposit CGI script. |
4346078.cif |
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Users of the data should acknowledge the original authors of the
structural data.