Crystallography Open Database

Information card for entry 4331901

4331900 << 4331901 >> 4331902

Preview

Coordinates	4331901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Ca F24 N6 O16 S8
Calculated formula	C24 H36 Ca F24 N6 O16 S8
SMILES	[Ca]1234([O]=S(=O)(N=S(O1)(=O)C(F)(F)F)C(F)(F)F)(OS(=NS(=[O]2)(=O)C(F)(F)F)(C(F)(F)F)=O)([O]=S(=O)(N=S(O3)(=O)C(F)(F)F)C(F)(F)F)OS(=NS(=[O]4)(=O)C(F)(F)F)(C(F)(F)F)=O.[N+]1(CCCC1)(C)CCC.[N+]1(CCCC1)(C)CCC
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	11.2002 ± 0.0012 Å
b	22.447 ± 0.003 Å
c	22.39 ± 0.002 Å
α	90°
β	107.735 ± 0.008°
γ	90°
Cell volume	5361.6 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1673
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	0.818
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.	4331901.cif
97959	2014-01-29	cif/ Adding structures of 4331901 via cif-deposit CGI script.	4331901.cif