Crystallography Open Database

Information card for entry 4115953

Preview

Coordinates	4115953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 F12 Mn N3 O5
Calculated formula	C24 H18 F12 Mn N3 O5
Title of publication	Tris[p-(N-oxyl-N-tert-butylamino)phenyl]amine, -methyl, and -borane Have Doublet, Triplet, and Doublet Ground States, Respectively
Authors of publication	Tetsuji Itoh; Kenji Matsuda; Hiizu Iwamura; Kenzi Hori
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	2567 - 2576
a	8.358 ± 0.002 Å
b	17.716 ± 0.003 Å
c	20.249 ± 0.003 Å
α	90°
β	98.83 ± 0.02°
γ	90°
Cell volume	2962.7 ± 1 Å³
Cell temperature	298.2 K
Ambient diffraction temperature	298.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	2.79
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4115953.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115953.cif
70517	2012-12-26	cif/ Adding structures of 4115953 via cif-deposit CGI script.	4115953.cif