Crystallography Open Database

Information card for entry 7239066

Preview

Coordinates	7239066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 N6 Ni S4
Calculated formula	C34 H42 N6 Ni S4
Title of publication	A bis(maleonitriledithiolato)nickelate charge-transfer salt with mixed stacks exhibiting novel non-ferroelectric-type dielectric phase transition and bistability
Authors of publication	Chen, Yao; Zhao, Shun-Ping; Liu, Jian-Lan; Ning, Wei-Hua; Sun, Xiao-Mei; Ren, Xiao-Ming
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	18
Pages of publication	9178
a	7.217 ± 0.002 Å
b	8.617 ± 0.003 Å
c	16.124 ± 0.005 Å
α	87.616 ± 0.004°
β	87.8 ± 0.005°
γ	72.222 ± 0.004°
Cell volume	953.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1759
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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