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Information card for entry 4085187
Preview
| Coordinates | 4085187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H88 Cl4 F8 N4 Ni2 |
|---|---|
| Calculated formula | C112 H88 Cl4 F8 N4 Ni2 |
| SMILES | c1ccc2c3c1cccc3C1C2=[N](c2c(cc(cc2CC)C)CC)[Ni]2([N]=1c1c(cc(cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C)C(c1ccc(F)cc1)c1ccc(F)cc1)([Cl][Ni]1([N](=C3C(=[N]1c1c(cc(cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C)C(c1ccc(F)cc1)c1ccc(F)cc1)c1c4c3cccc4ccc1)c1c(cc(cc1CC)C)CC)(Cl)[Cl]2)Cl |
| Title of publication | Enhancing the Activity and Thermal Stability of Nickel Complex Precatalysts Using 1-[2,6-Bis(bis(4-fluorophenyl)methyl)-4-methyl phenylimino]-2-aryliminoacenaphthylene Derivatives |
| Authors of publication | Du, Shizhen; Kong, Shaoliang; Shi, Qisong; Mao, Jing; Guo, Cunyue; Yi, Jianjun; Liang, Tongling; Sun, Wen-Hua |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 3 |
| Pages of publication | 582 |
| a | 13.039 ± 0.003 Å |
| b | 18.46 ± 0.004 Å |
| c | 21.236 ± 0.004 Å |
| α | 90° |
| β | 93.02 ± 0.03° |
| γ | 90° |
| Cell volume | 5104.4 ± 1.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.2022 |
| Weighted residual factors for all reflections included in the refinement | 0.2148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178740 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51. |
4085187.cif |
| 132978 | 2015-03-04 | cif/ Updating files of 4085186, 4085187 Original log message: Adding full bibliography for 4085186--4085187.cif. |
4085187.cif |
| 129930 | 2015-01-17 | cif/ Adding structures of 4085186, 4085187 via cif-deposit CGI script. |
4085187.cif |
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