Crystallography Open Database

Information card for entry 7205890

7205889 << 7205890 >> 7205891

Preview

Coordinates	7205890.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	from C:/gsas/MyWork/TTT4-EDITED.CIF
Formula	C20 H18 Br2 Hg N6 O2 S2
Calculated formula	C20 H18 Br2 Hg N6 O2 S2
Title of publication	C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction
Authors of publication	Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3710
a	7.798 ± 0.005 Å
b	34.458 ± 0.024 Å
c	9.449 ± 0.007 Å
α	90°
β	94.53 ± 0.005°
γ	90°
Cell volume	2531 ± 3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
RFsqd	0.08258
Goodness-of-fit parameter for all reflections	1.4
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180389 (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 7/20/58.	7205890.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205890.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205890.cif
21043	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205888, 7205889, 7205890, 7205891 via cif-deposit CGI script.	7205890.cif