Crystallography Open Database

Information card for entry 4315419

Preview

Coordinates	4315419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 F12 O4 S2 Ti
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 F_obs	No

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