Crystallography Open Database

Information card for entry 2105741

Preview

Coordinates	2105741.cif
Original IUCr paper	HTML

Structure parameters

Formula	C11 H10 Cl2 Li N2 O5
Calculated formula	C11 H10 Cl2 Li N2 O5
Title of publication	Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state
Authors of publication	Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	181 - 190
a	6.667 ± 0.005 Å
b	10.495 ± 0.005 Å
c	11.977 ± 0.005 Å
α	110.773 ± 0.005°
β	99.693 ± 0.005°
γ	100.335 ± 0.005°
Cell volume	745.9 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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 significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.3103
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105741.cif
104716	2014-03-11	cif/ hkl/ Adding structures of 2105741, 2105742, 2105743, 2105744, 2105745 via cif-deposit CGI script.	2105741.cif