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Information card for entry 1550751
Preview
| Coordinates | 1550751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H63 Cl N2 Pd |
|---|---|
| Calculated formula | C49 H63 Cl N2 Pd |
| SMILES | [Pd]1([N](=C2C(=[N]1c1c(C(C)C)cccc1C(C)C)[C@@H]1c3c([C@H]2c2c1cc(cc2)C(C)(C)C)cc(cc3)C(C)(C)C)c1c(C(C)C)cccc1C(C)C)(Cl)C.[Pd]1([N](=C2C(=[N]1c1c(C(C)C)cccc1C(C)C)[C@H]1c3c([C@@H]2c2c1cc(cc2)C(C)(C)C)cc(cc3)C(C)(C)C)c1c(C(C)C)cccc1C(C)C)(Cl)C |
| Title of publication | Living (co)polymerization of ethylene and bio-based furfuryl acrylate using dibenzobarrelene derived α-diimine palladium catalysts |
| Authors of publication | Du, Cheng; Zhong, Liu; Gao, Jie; Zhong, Shuhuang; Liao, Heng; Gao, Haiyang; Wu, Qing |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 16 |
| Pages of publication | 2029 |
| a | 24.7912 ± 0.0003 Å |
| b | 24.7912 ± 0.0003 Å |
| c | 31.0121 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 19060.1 ± 0.5 Å3 |
| Cell temperature | 149.97 ± 0.1 K |
| Ambient diffraction temperature | 149.97 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 110 |
| Hermann-Mauguin space group symbol | I 41 c d |
| Hall space group symbol | I 4bw -2c |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288248 (current) | 2023-12-12 | cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names. |
1550751.cif |
| 225341 | 2019-11-08 | cif/ Updating files of 1550751, 1550752 Original log message: Adding full bibliography for 1550751--1550752.cif. |
1550751.cif |
| 214140 | 2019-03-16 | cif/ Adding structures of 1550751, 1550752 via cif-deposit CGI script. |
1550751.cif |
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