Crystallography Open Database

Information card for entry 7208276

7208275 << 7208276 >> 7208277

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Coordinates	7208276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H10 F8 I4
Calculated formula	C26 H10 F8 I4
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	6.1901 ± 0.0016 Å
b	9.381 ± 0.003 Å
c	12.462 ± 0.003 Å
α	104.29 ± 0.004°
β	90.952 ± 0.004°
γ	97.561 ± 0.004°
Cell volume	694.3 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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