Crystallography Open Database

Information card for entry 4086356

Preview

Coordinates	4086356.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Titanium
Formula	C19 H37 B Cl2 N2 Ti
Calculated formula	C19 H22 B Cl2 N2 Ti
Title of publication	1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization
Authors of publication	Chen, Yang; Fang, Xiangdong; Dan, Wenyan
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	1
Pages of publication	15
a	16.4907 ± 0.0012 Å
b	9.3901 ± 0.0007 Å
c	16.8718 ± 0.0013 Å
α	90°
β	118.327 ± 0.002°
γ	90°
Cell volume	2299.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0628
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.528
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175812 (current)	2016-02-04	cif/ Updating files of 4086356, 4086357, 4086358, 4086359, 4086360, 4086361 Original log message: Adding full bibliography for 4086356--4086361.cif.	4086356.cif
171748	2015-12-29	cif/ Adding structures of 4086356 via cif-deposit CGI script.	4086356.cif