Crystallography Open Database

Information card for entry 4001638

Preview

Coordinates	4001638.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	01354
Formula	C20 H44 B4 F16 Li4 O10
Calculated formula	C20 H44 B4 F15.96 Li4 O10
SMILES	[Li]1[F][B](F)(F)[F][Li]2([F][B](F)(F)[F]1)[F][B](F)(F)[F][Li][F][B](F)(F)[F]2.C[O]1CC[O]2CC[O]([Li]1234)CC[O]1CC[O]([Li]251[O](C)CC[O]5CC[O]2CC[O]3CC[O]4C)C
Title of publication	Tetraglyme−Li+Cation Solvate Structures: Models for Amorphous Concentrated Liquid and Polymer Electrolytes (II)
Authors of publication	Henderson, Wesley A.; Brooks, Neil R.; Young, Victor G.
Journal of publication	Chemistry of Materials
Year of publication	2003
Journal volume	15
Journal issue	24
Pages of publication	4685
a	19.72 ± 0.002 Å
b	8.9762 ± 0.001 Å
c	21.36 ± 0.002 Å
α	90°
β	102.607 ± 0.002°
γ	90°
Cell volume	3689.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0635
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.