Crystallography Open Database

Information card for entry 7054070

Preview

Coordinates	7054070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H26 B9 N4 S
Calculated formula	C5 H26 B9 N4 S
Title of publication	Synthesis of new ω-amino- and ω-azidoalkyl carboranes
Authors of publication	Stogniy, Marina Yu.; Sivaev, Igor B.; Godovikov, Ivan A.; Starikova, Zoya A.; Bregadze, Vladimir I.; Qi, Shicheng
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	12
Pages of publication	3865
a	8.4373 ± 0.0014 Å
b	9.5358 ± 0.0016 Å
c	10.6711 ± 0.0018 Å
α	91.896 ± 0.003°
β	105.717 ± 0.003°
γ	107.104 ± 0.003°
Cell volume	784 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
180094 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/40.	7054070.cif
110379	2014-04-18	cif/ Adding structures of 7054070 via cif-deposit CGI script.	7054070.cif