Crystallography Open Database

Information card for entry 1556282

Preview

Coordinates	1556282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Cl2 N2 O Ti
Calculated formula	C26 H26 Cl2 N2 O Ti
SMILES	[Ti]123456(Cl)(Cl)([n]7c(ccc8c7c(O1)ccc8)C(=[N]2c1c(CC)cccc1CC)C)[cH]1[cH]4[cH]3[cH]5[cH]61
Title of publication	Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides
Authors of publication	Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl
Journal of publication	Catalysis Science & Technology
Year of publication	2011
Journal volume	1
Journal issue	7
Pages of publication	1208
a	23.852 ± 0.005 Å
b	13.832 ± 0.003 Å
c	16.89 ± 0.003 Å
α	90°
β	118.68 ± 0.03°
γ	90°
Cell volume	4889 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
244146 (current)	2019-11-28	cif/ Adding structures of 1556282, 1556283 via cif-deposit CGI script.	1556282.cif