Crystallography Open Database

Information card for entry 7230220

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Coordinates	7230220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Br4 Cl4 Cu2 F4 N4
Calculated formula	C20 H12 Br4 Cl4 Cu2 F4 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	14.946 ± 0.003 Å
b	15.233 ± 0.003 Å
c	6.7384 ± 0.0013 Å
α	90°
β	91.82 ± 0.03°
γ	90°
Cell volume	1533.4 ± 0.5 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0226
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0483
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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