Crystallography Open Database

Information card for entry 7230213

Preview

Coordinates	7230213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Br4 Cl2 Cu N2
Calculated formula	C10 H6 Br4 Cl2 Cu N2
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	8.2021 ± 0.0004 Å
b	12.8425 ± 0.0007 Å
c	14.6338 ± 0.0006 Å
α	90°
β	91.109 ± 0.005°
γ	90°
Cell volume	1541.17 ± 0.13 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7230213.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.	7230213.cif