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Information card for entry 1556873
Preview
| Coordinates | 1556873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65.5 H39.5 F20 N8 Ru |
|---|---|
| Calculated formula | C64 H36 F20 N8 Ru |
| SMILES | [Ru]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1c(F)c(F)c(F)c(F)c1F)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F)([N]1=NC21C1CC3CC2CC(C1)C3)[N]1=NC21C1CC3CC2CC(C1)C3 |
| Title of publication | Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity. |
| Authors of publication | Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 8 |
| Pages of publication | 2243 - 2259 |
| a | 24.815 ± 0.006 Å |
| b | 20.891 ± 0.005 Å |
| c | 24.043 ± 0.005 Å |
| α | 90° |
| β | 100.174 ± 0.007° |
| γ | 90° |
| Cell volume | 12268 ± 5 Å3 |
| Cell temperature | 149 ± 2 K |
| Ambient diffraction temperature | 149 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1462 |
| Residual factor for significantly intense reflections | 0.1093 |
| Weighted residual factors for significantly intense reflections | 0.2887 |
| Weighted residual factors for all reflections included in the refinement | 0.3252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250219 (current) | 2020-04-05 | cif/ Updating files of 1556869, 1556870, 1556871, 1556872, 1556873 Original log message: Adding full bibliography for 1556869--1556873.cif. |
1556873.cif |
| 248869 | 2020-03-05 | cif/ Updating files of 1556869, 1556870, 1556871, 1556872, 1556873 Original log message: Adding full bibliography for 1556869--1556873.cif. |
1556873.cif |
| 246356 | 2020-01-01 | cif/ Adding structures of 1556869, 1556870, 1556871, 1556872, 1556873 via cif-deposit CGI script. |
1556873.cif |
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Users of the data should acknowledge the original authors of the
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