Crystallography Open Database

Information card for entry 7206337

7206336 << 7206337 >> 7206338

Preview

Coordinates	7206337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Br4 K O3
Calculated formula	C9 H6 Br4 K O3
Title of publication	Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals
Authors of publication	Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	16
Pages of publication	5170
a	7.594 ± 0.0002 Å
b	10.6229 ± 0.0004 Å
c	16.928 ± 0.0005 Å
α	91.426 ± 0.003°
β	91.085 ± 0.003°
γ	100.728 ± 0.003°
Cell volume	1340.92 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54179 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206337.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206337.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206337.cif
23607	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206336, 7206337, 7206338, 7206339, 7206340, 7206341, 7206342 via cif-deposit CGI script.	7206337.cif