Crystallography Open Database

Information card for entry 1514250

Preview

Coordinates	1514250.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(THF)1-LiTDI
Formula	C10 H8 F3 Li N4 O
Calculated formula	C10 H8 F3 Li N4 O
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	8.128 ± 0.002 Å
b	8.606 ± 0.002 Å
c	8.614 ± 0.002 Å
α	73.415 ± 0.016°
β	85.388 ± 0.011°
γ	88.509 ± 0.012°
Cell volume	575.6 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	1514250.cif
110561	2014-04-19	cif/ Updating files of 1514250 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-10461/cifs/1514250.cif.	1514250.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.	1514250.cif