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Information card for entry 4105056
Preview
Coordinates | 4105056.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C8H14[OSSO]H2 |
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Chemical name | C8H14[OSSO]H2 |
Formula | C38 H60 O2 S2 |
Calculated formula | C38 H60 O2 S2 |
SMILES | S([C@H]1[C@@H](CCCCCC1)SCc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C.S([C@@H]1[C@H](CCCCCC1)SCc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C |
Title of publication | Zirconium Complex of an [OSSO]-Type Diphenolate Ligand Bearing trans-1,2-Cyclooctanediylbis(thio) Core: Synthesis, Structure, and Isospecific 1-Hexene Polymerization |
Authors of publication | Akihiko Ishii; Tomoyuki Toda; Norio Nakata; Tsukasa Matsuo |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 13566 - 13567 |
a | 9.6866 ± 0.0005 Å |
b | 10.8284 ± 0.0005 Å |
c | 35.0668 ± 0.0018 Å |
α | 90° |
β | 93.727 ± 0.001° |
γ | 90° |
Cell volume | 3670.4 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0946 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1475 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105056.html
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