Crystallography Open Database

Information card for entry 7207147

7207146 << 7207147 >> 7207148

Preview

Coordinates	7207147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H10 F8 I4
Calculated formula	C28 H10 F8 I4
Title of publication	Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment
Authors of publication	Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	3
Pages of publication	1010
a	10.277 ± 0.003 Å
b	15.593 ± 0.005 Å
c	9.715 ± 0.003 Å
α	90°
β	114.844 ± 0.006°
γ	90°
Cell volume	1412.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180402 (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 7/20/71.	7207147.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207147.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207147.cif
32490	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7207147, 7207148, 7207149, 7207150, 7207151, 7207152 via cif-deposit CGI script.	7207147.cif