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Information card for entry 7243756
Preview
| Coordinates | 7243756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H52 Br Cu N4 O2 P2 |
|---|---|
| Calculated formula | C57 H52 Br Cu N4 O2 P2 |
| SMILES | [Br-].[Cu]12([P](CN(c3ncccc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c3c(ccc4c3[n]2ccc4c2ccccc2)c(c2ccccc2)cc1.OC.OC |
| Title of publication | A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties |
| Authors of publication | Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 47 |
| Pages of publication | 8323 - 8333 |
| a | 11.9044 ± 0.0001 Å |
| b | 19.1935 ± 0.0002 Å |
| c | 21.5471 ± 0.0003 Å |
| α | 90° |
| β | 105.907 ± 0.001° |
| γ | 90° |
| Cell volume | 4734.71 ± 0.09 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271833 (current) | 2022-01-06 | cif/ Updating files of 7243753, 7243754, 7243755, 7243756, 7243757 Original log message: Adding full bibliography for 7243753--7243757.cif. |
7243756.cif |
| 270035 | 2021-10-20 | cif/ Adding structures of 7243753, 7243754, 7243755, 7243756, 7243757 via cif-deposit CGI script. |
7243756.cif |
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Users of the data should acknowledge the original authors of the
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