Crystallography Open Database

Information card for entry 4508937

Preview

Coordinates	4508937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Br4 Hg2 N4
Calculated formula	C8 H6 Br4 Hg2 N4
SMILES	c1[n](cc(c2cncnc2)c[n]1[Hg](Br)Br)[Hg](Br)Br
Title of publication	Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions
Authors of publication	Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	1
Pages of publication	258
a	14.2449 ± 0.0013 Å
b	16.6049 ± 0.0015 Å
c	6.3738 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1507.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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