Crystallography Open Database

Information card for entry 7230217

Preview

Coordinates	7230217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Br4 Cl8 Cu2 N4
Calculated formula	C20 H12 Br4 Cl8 Cu2 N4
Title of publication	Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes
Authors of publication	Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	14
Pages of publication	1954
a	7.8894 ± 0.0016 Å
b	14.316 ± 0.003 Å
c	13.494 ± 0.003 Å
α	90°
β	92.06 ± 0.03°
γ	90°
Cell volume	1523.1 ± 0.6 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
229064 (current)	2019-11-17	cif/ Updating files of 7230211, 7230212, 7230213, 7230214, 7230215, 7230216, 7230217, 7230218, 7230219, 7230220, 7230221, 7230222 Original log message: Adding full bibliography for 7230211--7230222.cif.	7230217.cif
206754	2018-03-03	cif/ Adding structures of 7230211, 7230212, 7230213, 7230214, 7230215, 7230216, 7230217, 7230218, 7230219, 7230220, 7230221, 7230222 via cif-deposit CGI script.	7230217.cif