Crystallography Open Database

Information card for entry 1506807

Preview

Coordinates	1506807.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	01392
Chemical name	Lithium perchlorate monoglyme (1:2)
Formula	C8 H20 Cl Li O8
Calculated formula	C8 H20 Cl Li O8
SMILES	[Li]123(OCl(=O)(=O)=[O]3)([O](C)CC[O]1C)[O](C)CC[O]2C
Title of publication	LiClO4Electrolyte Solvate Structures
Authors of publication	Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G.
Journal of publication	The Journal of Physical Chemistry A
Year of publication	2004
Journal volume	108
Journal issue	1
Pages of publication	225
a	13.147 ± 0.001 Å
b	8.9501 ± 0.0009 Å
c	12.378 ± 0.001 Å
α	90°
β	108.09 ± 0.002°
γ	90°
Cell volume	1384.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506807.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506807.cif
51451	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506807, 1506808 via cif-deposit CGI script.	1506807.cif