Crystallography Open Database

Information card for entry 1577288

Preview

Coordinates	1577288.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Mo(CO)3Li(thf)3}2
Chemical name	3-Mo2
Formula	C48 H70 B2 Li2 Mo2 O12
Calculated formula	C48 H70 B2 Li2 Mo2 O12
Title of publication	Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion
Authors of publication	Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger
Journal of publication	Chemical Science
Year of publication	2026
a	42.0401 ± 0.0004 Å
b	10.407 ± 0.0001 Å
c	24.2315 ± 0.0002 Å
α	90°
β	105.154 ± 0.001°
γ	90°
Cell volume	10232.9 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306070 (current)	2026-05-22	cif/ Adding structures of 1577285, 1577286, 1577287, 1577288, 1577289, 1577290, 1577291, 1577292, 1577293 via cif-deposit CGI script.	1577288.cif