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Information card for entry 4089258
Preview
Coordinates | 4089258.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H42 Cl2 O2 Si Ti |
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Calculated formula | C40 H42 Cl2 O2 Si Ti |
SMILES | [Ti]123456789(Cl)(Cl)[cH]%10[c]1([c]2([Si](C)(C)[c]15[c]4([cH]3[c]27[c]61c(ccc2c1cc(cc(c1)C)C)OC)C)[c]18[c]9%10c(c2cc(cc(c2)C)C)ccc1OC)C |
Title of publication | Titanocenes in Olefin Polymerization: Sustainable Catalyst System or an Extinct Species? |
Authors of publication | Machat, Martin R.; Jandl, Christian; Rieger, Bernhard |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 7 |
Pages of publication | 1408 |
a | 8.969 ± 0.0004 Å |
b | 12.5726 ± 0.0006 Å |
c | 15.2414 ± 0.0008 Å |
α | 88.736 ± 0.002° |
β | 85.302 ± 0.002° |
γ | 80.633 ± 0.002° |
Cell volume | 1690 ± 0.14 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation probe | x-ray |
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/4089258.html
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Users of the data should acknowledge the original authors of the
structural data.