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Information card for entry 7228989
Preview
Coordinates | 7228989.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H111 Cl6 N O3 Ti3 |
---|---|
Calculated formula | C75 H111 Cl6 N O3 Ti3 |
SMILES | [Ti]1234(Cl)(Cl)(Oc5c(CN(Cc6c(O[Ti]789%10(Cl)(Cl)[c]%11([c]7([c]8([c]9([c]%10%11C)C)C)C)C)c(cc(c6)C(C)(C)C)C(C)(C)C)Cc6c(O[Ti]789%10(Cl)(Cl)[c]%11([c]7([c]8([c]9([c]%10%11C)C)C)C)C)c(cc(c6)C(C)(C)C)C(C)(C)C)cc(cc5C(C)(C)C)C(C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
Title of publication | Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation |
Authors of publication | Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 66 |
Pages of publication | 41345 |
a | 17.5836 ± 0.0009 Å |
b | 22.4075 ± 0.001 Å |
c | 21.6663 ± 0.001 Å |
α | 90° |
β | 94.814 ± 0.004° |
γ | 90° |
Cell volume | 8506.5 ± 0.7 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1382 |
Residual factor for significantly intense reflections | 0.0757 |
Weighted residual factors for significantly intense reflections | 0.191 |
Weighted residual factors for all reflections included in the refinement | 0.2209 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7228989.html
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Users of the data should acknowledge the original authors of the
structural data.