Crystallography Open Database

Information card for entry 1563338

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Coordinates	1563338.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(CuHg(mu-NCS)4)n
Formula	C4 Cu Hg N4 S4
Calculated formula	C4 Cu Hg N4 S4
Title of publication	Dicarboxylate assisted synthesis of the monoclinic heterometallic tetrathiocyanato bridged copper(II) and mercury(II) coordination polymer {Cu[Hg(SCN)4]} : Synthesis, structural, vibration, luminescence, EPR studies and DFT calculations
Authors of publication	Khandar, Ali Akbar; Klein, Axel; Bakhtiari, Akbar; Mahjoub, Ali Reza; Pohl, Roland W.H.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2011
Journal volume	184
Journal issue	2
Pages of publication	379 - 386
a	9.0084 ± 0.0018 Å
b	7.6993 ± 0.0019 Å
c	15.156 ± 0.002 Å
α	90°
β	90 ± 0.01°
γ	90°
Cell volume	1051.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.061
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	0.815
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
266393 (current)	2021-06-11	cif/ Adding structures of 1563338 via cif-deposit CGI script.	1563338.cif