Crystallography Open Database

Information card for entry 4120232

4120231 << 4120232 >> 4120233

Preview

Coordinates	4120232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H67 B2 F24 P Ru S
Calculated formula	C70 H67 B2 F24 P Ru S
Title of publication	Catalytic Generation of Borenium Ions by Cooperative B-H Bond Activation: The Elusive Direct Electrophilic Borylation of Nitrogen Heterocycles with Pinacolborane
Authors of publication	Timo Stahl; Kristine Müther; Yasuhiro Ohki; Kazuyuki Tatsumi; Martin Oestreich
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10978 - 10981
a	12.829 ± 0.011 Å
b	12.878 ± 0.011 Å
c	21.754 ± 0.015 Å
α	82.843 ± 0.017°
β	81.29 ± 0.03°
γ	89.02 ± 0.02°
Cell volume	3525 ± 5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.2227
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4120232.html