Crystallography Open Database

Information card for entry 1574129

Preview

Coordinates	1574129.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C20H37Cl2NSiTi
Formula	C20 H37 Cl2 N Si Ti
Calculated formula	C20 H37 Cl2 N Si Ti
SMILES	[Ti]1234(Cl)(Cl)([N]#C(C(C)(C)C)C(C)(C)C)[c]5([Si](CC)(CC)CC)[cH]1[cH]2[cH]3[cH]45
Title of publication	(Trialkylsilyl-cyclopentadienyl)titanium(IV) Dichloride Complexes Containing Ketimide Ligands, Cp’TiCl2(N=CtBu2) (Cp’ = Me3SiC5H4, Et3SiC5H4), as Efficient Catalysts for Ethylene Copolymerisations with Norbornene, Tetracyclododecene
Authors of publication	Kawatsu, Minaho; Fujioka, Taiga; Losio, Simona; Tritto, Incoronata; Nomura, Kotohiro
Journal of publication	Catalysis Science & Technology
Year of publication	2025
a	12.2674 ± 0.0004 Å
b	13.776 ± 0.0004 Å
c	14.0063 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2367 ± 0.12 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298375 (current)	2025-03-12	cif/ Adding structures of 1574128, 1574129 via cif-deposit CGI script.	1574129.cif