Crystallography Open Database

Information card for entry 1556320

Preview

Coordinates	1556320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 Cl2 N2 O Ti
Calculated formula	C37 H32 Cl2 N2 O Ti
SMILES	[Ti]123456(Oc7c8[n]1c(ccc8ccc7)C(=[N]2c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C)C)(Cl)(Cl)[cH]1[cH]5[cH]3[cH]4[cH]61
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	53.675 ± 0.011 Å
b	10.021 ± 0.002 Å
c	24.886 ± 0.005 Å
α	90°
β	100.29 ± 0.03°
γ	90°
Cell volume	13170 ± 5 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	0.0932
Weighted residual factors for significantly intense reflections	0.2446
Weighted residual factors for all reflections included in the refinement	0.2632
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	1556320.cif