Crystallography Open Database

Information card for entry 4125198

Preview

Coordinates	4125198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 B N4 Na O2
Calculated formula	C31 H46 B N4 Na O2
Title of publication	Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.
Authors of publication	Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	34
Pages of publication	10790 - 10793
a	13.3224 ± 0.0013 Å
b	17.05 ± 0.0017 Å
c	17.6861 ± 0.0018 Å
α	99.8463 ± 0.0017°
β	111.99 ± 0.0017°
γ	112.862 ± 0.0016°
Cell volume	3188.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187921 (current)	2016-11-06	cif/ Updating files of 4125195, 4125196, 4125197, 4125198, 4125199 Original log message: Adding full bibliography for 4125195--4125199.cif.	4125198.cif
185872	2016-08-18	cif/ Adding structures of 4125195, 4125196, 4125197, 4125198, 4125199 via cif-deposit CGI script.	4125198.cif