Crystallography Open Database

Information card for entry 7208277

7208276 << 7208277 >> 7208278

Preview

Coordinates	7208277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H10 F8 I4
Calculated formula	C24 H10 F8 I4
SMILES	c1(c(c(F)c(c(c1F)F)I)F)I.c1ccccc1c1ccccc1.c1(c(c(c(c(c1F)F)I)F)F)I
Title of publication	Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions
Authors of publication	Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	15
Pages of publication	5027
a	6.1559 ± 0.0005 Å
b	12.1831 ± 0.0011 Å
c	18.1485 ± 0.0015 Å
α	90°
β	99.044 ± 0.001°
γ	90°
Cell volume	1344.2 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180413 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/82.	7208277.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208277.cif
64238	2012-08-11	cif/ Adding structures of 7208275, 7208276, 7208277 via cif-deposit CGI script.	7208277.cif