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Information card for entry 1556869
Preview
| Coordinates | 1556869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H60 Cl2 N4 O2 Ru |
|---|---|
| Calculated formula | C60 H58 N4 O2 Ru |
| SMILES | [Ru]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)(=C1C2CC3CC1CC(C2)C3)[OH]C.OC |
| 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 | 11.5545 ± 0.001 Å |
| b | 17.3432 ± 0.0016 Å |
| c | 25.028 ± 0.002 Å |
| α | 90° |
| β | 95.757 ± 0.002° |
| γ | 90° |
| Cell volume | 4990.1 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.071 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1556869.cif |
| 248869 | 2020-03-05 | cif/ Updating files of 1556869, 1556870, 1556871, 1556872, 1556873 Original log message: Adding full bibliography for 1556869--1556873.cif. |
1556869.cif |
| 246356 | 2020-01-01 | cif/ Adding structures of 1556869, 1556870, 1556871, 1556872, 1556873 via cif-deposit CGI script. |
1556869.cif |
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Users of the data should acknowledge the original authors of the
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