Crystallography Open Database

Information card for entry 4087395

Preview

Coordinates	4087395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Cl3 N2 Ti
Calculated formula	C25 H25 Cl3 N2 Ti
SMILES	[Ti]1(Cl)(Cl)(Cl)[n]2c3c(N1c1c(cc(cc1C)C)C)cccc3ccc2C.c1ccccc1
Title of publication	Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity
Authors of publication	Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1354
a	10.1358 ± 0.0002 Å
b	11.327 ± 0.0003 Å
c	11.8363 ± 0.0003 Å
α	69.349 ± 0.001°
β	75.133 ± 0.001°
γ	80.565 ± 0.001°
Cell volume	1224.96 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
236770 (current)	2019-11-24	cif/ Adding structures of 4087392, 4087393, 4087394, 4087395, 4087396 via cif-deposit CGI script.	4087395.cif