Crystallography Open Database

Information card for entry 4118134

Preview

Coordinates	4118134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H37 B20 Co O4 S4
Calculated formula	C22 H37 B20 Co O4 S4
Title of publication	Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl
Authors of publication	Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	10341 - 10344
a	24.766 ± 0.003 Å
b	12.8891 ± 0.0015 Å
c	25.154 ± 0.004 Å
α	90°
β	113.668 ± 0.002°
γ	90°
Cell volume	7354.1 ± 1.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.815
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118134.html