Crystallography Open Database

Information card for entry 7209605

7209604 << 7209605 >> 7209606

Preview

Coordinates	7209605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H30 Br4 F8
Calculated formula	C54 H30 Br4 F8
Title of publication	Co-crystallization turned on the phosphorescence of phenanthrene by C‒Br⋯π halogen bonding, π‒hole⋯π bonding and other assisting interactions
Authors of publication	Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	14
Pages of publication	2722
a	6.9513 ± 0.001 Å
b	8.9349 ± 0.0013 Å
c	17.922 ± 0.002 Å
α	83.047 ± 0.002°
β	84.916 ± 0.002°
γ	79.039 ± 0.002°
Cell volume	1082.3 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0428
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180427 (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 7/20/96.	7209605.cif
86054	2013-05-09	cif/ Adding structures of 7209605 via cif-deposit CGI script.	7209605.cif