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Information card for entry 1557988
Preview
| Coordinates | 1557988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H39 Cl2 Cu2 N4 O P Pt |
|---|---|
| Calculated formula | C26 H39 Cl2 Cu2 N4 O P Pt |
| SMILES | [Pt]123([Cu]45([CH3]3)[N](Cc3[n]5c5[n]2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc5cc3)(C)Cc1[n]4cccc1)C.[Cu](Cl)[Cl-] |
| Title of publication | Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes |
| Authors of publication | Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 21 |
| Pages of publication | 5494 - 5502 |
| a | 12.7739 ± 0.0002 Å |
| b | 8.98822 ± 0.00013 Å |
| c | 27.115 ± 0.0004 Å |
| α | 90° |
| β | 100.703 ± 0.0016° |
| γ | 90° |
| Cell volume | 3059.04 ± 0.08 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0535 |
| Weighted residual factors for all reflections included in the refinement | 0.0558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257398 (current) | 2020-10-06 | cif/ Updating files of 1557987, 1557988, 1557989, 1557990, 1557991, 1557992, 1557993, 1557994 Original log message: Adding full bibliography for 1557987--1557994.cif. |
1557988.cif |
| 252745 | 2020-06-05 | cif/ Updating files of 1557987, 1557988, 1557989, 1557990, 1557991, 1557992, 1557993, 1557994 Original log message: Adding full bibliography for 1557987--1557994.cif. |
1557988.cif |
| 251416 | 2020-05-03 | cif/ Adding structures of 1557987, 1557988, 1557989, 1557990, 1557991, 1557992, 1557993, 1557994 via cif-deposit CGI script. |
1557988.cif |
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Users of the data should acknowledge the original authors of the
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