Crystallography Open Database

Information card for entry 7246968

Preview

Coordinates	7246968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 B F4 Mo O2 S2
Calculated formula	C11 H17 B F4 Mo O2 S2
Title of publication	Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function
Authors of publication	Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	29
Pages of publication	19746 - 19756
a	13.2549 ± 0.0006 Å
b	14.9295 ± 0.0008 Å
c	16.5899 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3283 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284738 (current)	2023-07-01	cif/ Adding structures of 7246965, 7246966, 7246967, 7246968, 7246969, 7246970, 7246971, 7246972 via cif-deposit CGI script.	7246968.cif