Crystallography Open Database

Information card for entry 1514252

Preview

Coordinates	1514252.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(PC)1-LiTDI
Formula	C10 H6 F3 Li N4 O3
Calculated formula	C10 H6 F3 Li N4 O3
Title of publication	Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI
Authors of publication	McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2014
Journal volume	118
Journal issue	15
Pages of publication	7781
a	9.2612 ± 0.0015 Å
b	14.667 ± 0.003 Å
c	11.5933 ± 0.0019 Å
α	90°
β	127.825 ± 0.006°
γ	90°
Cell volume	1243.9 ± 0.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.1225
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	1514252.cif
110563	2014-04-19	cif/ Updating files of 1514252 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-10461/cifs/1514252.cif.	1514252.cif
108954	2014-04-05	cif/ Adding structures of 1514242, 1514243, 1514244, 1514245, 1514246, 1514247, 1514248, 1514249, 1514250, 1514251, 1514252, 1514253 via cif-deposit CGI script.	1514252.cif