Crystallography Open Database

Information card for entry 4089462

Preview

Coordinates	4089462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 Cl4 F3 N4 S Ti
Calculated formula	C35 H35 Cl4 F3 N4 S Ti
Title of publication	Coordination and Reactivity Study of Group 4 and 10 Transition Metal Complexes ofN-Imidazol-2-ylidene-N′-p-tolylureate and Thioureate Ligands
Authors of publication	Harkness, Michael B.; Alvarado, Edwin; Badaj, Anna C.; Skrela, Barbara C.; Fan, Louie; Lavoie, Gino G.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	11
Pages of publication	3309
a	11.2789 ± 0.0005 Å
b	11.9703 ± 0.0006 Å
c	15.2058 ± 0.0007 Å
α	111.265 ± 0.002°
β	94.818 ± 0.003°
γ	102.618 ± 0.003°
Cell volume	1836.66 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243650 (current)	2019-11-26	cif/ Adding structures of 4089461, 4089462, 4089463, 4089464, 4089465 via cif-deposit CGI script.	4089462.cif