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Information card for entry 4086361
Preview
Coordinates | 4086361.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H46 B Cl2 N2 P Ti |
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Calculated formula | C22 H46 B Cl2 N2 P Ti |
SMILES | [Ti]1234(Cl)(Cl)(N5([B]1([C]3(=[C]4([CH]2=5)C)C)C)C(C)(C)C)N=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | 1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization |
Authors of publication | Chen, Yang; Fang, Xiangdong; Dan, Wenyan |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 1 |
Pages of publication | 15 |
a | 29.391 ± 0.007 Å |
b | 12.383 ± 0.003 Å |
c | 17.599 ± 0.004 Å |
α | 90° |
β | 119.045 ± 0.004° |
γ | 90° |
Cell volume | 5600 ± 2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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