Crystallography Open Database

Information card for entry 4119940

4119939 << 4119940 >> 4119941

Preview

Coordinates	4119940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 B Cl Li O2 P2 S
Calculated formula	C33 H43 B Cl Li O2 P2 S
Title of publication	Facile B-H Bond Activation of Borane by Stable Carbenoid Species
Authors of publication	Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8774 - 8777
a	10.664 ± 0.001 Å
b	17.001 ± 0.001 Å
c	19.878 ± 0.001 Å
α	89.863 ± 0.001°
β	81.233 ± 0.001°
γ	72.371 ± 0.001°
Cell volume	3390.8 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178970 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/99.	4119940.cif
104603	2014-03-11	cif/ Adding structures of 4119940 via cif-deposit CGI script.	4119940.cif