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Information card for entry 4315419
Preview
Coordinates | 4315419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 F12 O4 S2 Ti |
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Calculated formula | C16 H22 F12 O4 S2 Ti |
SMILES | [Ti]123(OC(C[S]2CC[S]3CC(O1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C)C)OC(C)C |
Title of publication | Dithiodiolate Ligands: Group 4 Complexes and Application in Lactide Polymerization |
Authors of publication | Ekaterina Sergeeva; Jacob Kopilov; Israel Goldberg; Moshe Kol |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 3977 - 3979 |
a | 10.6292 ± 0.0001 Å |
b | 24.3687 ± 0.0005 Å |
c | 9.7091 ± 0.0002 Å |
α | 90° |
β | 103.94 ± 0.0008° |
γ | 90° |
Cell volume | 2440.79 ± 0.08 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1029 |
Residual factor for significantly intense reflections | 0.0665 |
Weighted residual factors for significantly intense reflections | 0.1931 |
Weighted residual factors for all reflections included in the refinement | 0.2121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4315419.html
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