Crystallography Open Database

Information card for entry 1577287

Preview

Coordinates	1577287.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{eta6-[2,3,6,7,9,10-Me6-9,10-DHDBA]}{Cr(CO)3}
Chemical name	2-Cr
Formula	C21 H22 B2 Cr O3
Calculated formula	C21 H22 B2 Cr O3
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	10.1458 ± 0.0001 Å
b	13.7582 ± 0.0002 Å
c	13.592 ± 0.0001 Å
α	90°
β	91.097 ± 0.001°
γ	90°
Cell volume	1896.93 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1779
Weighted residual factors for all reflections included in the refinement	0.1844
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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	No
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.	1577287.cif