Information card for entry 7017973
| Formula |
C54 H43 Cl2 Cu N2 P2 |
| Calculated formula |
C54 H43 Cl2 Cu N2 P2 |
| SMILES |
[Cu]1([n]2c3ccccc3ccc2c2n1c1c(c2)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
| Title of publication |
Neutral cuprous complexes as ratiometric oxygen gas sensors. |
| Authors of publication |
Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2012 |
| Journal volume |
41 |
| Journal issue |
4 |
| Pages of publication |
1312 - 1319 |
| a |
10.9902 ± 0.0008 Å |
| b |
12.2055 ± 0.0008 Å |
| c |
19.3749 ± 0.0013 Å |
| α |
75.669 ± 0.001° |
| β |
81.144 ± 0.001° |
| γ |
66.097 ± 0.001° |
| Cell volume |
2297.9 ± 0.3 Å3 |
| Cell temperature |
186 ± 2 K |
| Ambient diffraction temperature |
186 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0719 |
| Residual factor for significantly intense reflections |
0.0549 |
| Weighted residual factors for significantly intense reflections |
0.1441 |
| Weighted residual factors for all reflections included in the refinement |
0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.003 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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