Crystallography Open Database

Information card for entry 7710169

Preview

Coordinates	7710169.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrachloro(1,2-dimethoxyethane)molybdenum(IV)
Formula	C4 H10 Cl4 Mo O2
Calculated formula	C4 H10 Cl4 Mo O2
SMILES	[Mo]1(Cl)(Cl)(Cl)(Cl)[O](C)CC[O]1C
Title of publication	Synthesis, Characterization, X-ray and Electronic Structures of Diethyl Ether and 1,2-Dimethoxyethane Adducts of Molybdenum(IV) Chloride and Tungsten(IV) Chloride
Authors of publication	Shaw, Thomas E.; Diethrich, Timothy J. J.; Stern, Charlotte L.; Scott, Brian; Jurca, Titel; Gilbert, Thomas M.; Sattelberger, Alfred P.
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.0686 ± 0.0005 Å
b	11.3057 ± 0.0006 Å
c	11.6997 ± 0.0006 Å
α	90°
β	90.519 ± 0.005°
γ	90°
Cell volume	1067.22 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation probe	x-ray
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
274820 (current)	2022-05-03	cif/ Adding structures of 7710167, 7710168, 7710169 via cif-deposit CGI script.	7710169.cif