Crystallography Open Database

Information card for entry 1556319

Preview

Coordinates	1556319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 Cl2 N2 O Ti
Calculated formula	C48 H38 Cl2 N2 O Ti
SMILES	[Ti]123456([n]7c(ccc8c7c(O1)ccc8)C=[N]2c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C)(Cl)(Cl)[cH]1[cH]4[cH]6[cH]5[cH]31
Title of publication	Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates
Authors of publication	Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl
Journal of publication	Catalysis Science & Technology
Year of publication	2012
Journal volume	2
Journal issue	10
Pages of publication	2090
a	17.529 ± 0.004 Å
b	18.752 ± 0.004 Å
c	25.656 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8433 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1428
Residual factor for significantly intense reflections	0.1065
Weighted residual factors for significantly intense reflections	0.2577
Weighted residual factors for all reflections included in the refinement	0.2817
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
244212 (current)	2019-11-28	cif/ Adding structures of 1556319, 1556320 via cif-deposit CGI script.	1556319.cif