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Information card for entry 1562358
Preview
Coordinates | 1562358.cif |
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Original paper (by DOI) | HTML |
Formula | C70 H52 Br2 N2 Ni |
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Calculated formula | C70 H52 Br2 N2 Ni |
SMILES | [Ni]1(Br)(Br)[N](=C2C(=[N]1c1c(cc(cc1C)C)C(c1cc3c(cc1)cccc3)c1cc3c(cc1)cccc3)c1c3c2cccc3ccc1)c1c(cc(cc1C)C)C(c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2 |
Title of publication | Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis |
Authors of publication | Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang |
Journal of publication | Polymer Chemistry |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 22 |
Pages of publication | 3240 - 3249 |
a | 17.6855 ± 0.0016 Å |
b | 19.5147 ± 0.0018 Å |
c | 21.7741 ± 0.0019 Å |
α | 66.138 ± 0.001° |
β | 87.031 ± 0.003° |
γ | 70.111 ± 0.002° |
Cell volume | 6430.3 ± 1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2212 |
Residual factor for significantly intense reflections | 0.1169 |
Weighted residual factors for significantly intense reflections | 0.2321 |
Weighted residual factors for all reflections included in the refinement | 0.2475 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267253 (current) | 2021-07-05 | cif/ Updating files of 1562355, 1562356, 1562357, 1562358 Original log message: Adding full bibliography for 1562355--1562358.cif. |
1562358.cif |
264829 | 2021-05-04 | cif/ Adding structures of 1562355, 1562356, 1562357, 1562358 via cif-deposit CGI script. |
1562358.cif |
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Users of the data should acknowledge the original authors of the
structural data.