Crystallography Open Database

Information card for entry 1577293

Preview

Coordinates	1577293.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Cr(CO)3Li(thf)3}2
Chemical name	3-Cr2
Formula	C48 H70 B2 Cr2 Li2 O12
Calculated formula	C48.004 H70.008 B2 Cr2 Li2 O12.001
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	41.931 ± 0.002 Å
b	10.3833 ± 0.0005 Å
c	23.8066 ± 0.0012 Å
α	90°
β	104.726 ± 0.004°
γ	90°
Cell volume	10024.5 ± 0.9 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	0.0401
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	1577293.cif