Crystallography Open Database

Information card for entry 4331902

4331901 << 4331902 >> 4331903

Preview

Coordinates	4331902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Ba F18 N4 O12 S6
Calculated formula	C14 H18 Ba F18 N4 O12 S6
Title of publication	Homoleptic Alkaline Earth Metal Bis(trifluoromethanesulfonyl)imide Complex Compounds Obtained from an Ionic Liquid
Authors of publication	Babai, Arash; Mudring, Anja-Verena
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	8
Pages of publication	3249 - 3255
a	12.3765 ± 0.0005 Å
b	25.0429 ± 0.0012 Å
c	23.0517 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7144.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179422 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19.	4331902.cif
97960	2014-01-29	cif/ Adding structures of 4331902 via cif-deposit CGI script.	4331902.cif