Crystallography Open Database

Information card for entry 4118085

Preview

Coordinates	4118085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H38 B F10 N O P
Calculated formula	C38.5 H38 B F10 N O P
Title of publication	N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals
Authors of publication	Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	10156 - 10168
a	8.6599 ± 0.0003 Å
b	10.7452 ± 0.0008 Å
c	21.1333 ± 0.0006 Å
α	84.775 ± 0.004°
β	82.784 ± 0.002°
γ	86.802 ± 0.005°
Cell volume	1940.86 ± 0.17 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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 all reflections	0.0601
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4118085.cif
75230	2013-03-08	cif/ Adding structures of 4118085 via cif-deposit CGI script.	4118085.cif