Crystallography Open Database

Information card for entry 7234368

Preview

Coordinates	7234368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N5 Ni S4
Calculated formula	C24 H20 N5 Ni S4
SMILES	[Ni]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[n+]1(ccccc1)Cc1ccc(cc1)C(C)(C)C
Title of publication	Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate
Authors of publication	Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7906 - 7915
a	12.5624 ± 0.0005 Å
b	24.0375 ± 0.001 Å
c	26.6188 ± 0.0011 Å
α	74.498 ± 0.004°
β	79.058 ± 0.004°
γ	83.756 ± 0.003°
Cell volume	7590.5 ± 0.6 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 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	0.1132
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	0.847
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219094 (current)	2019-10-04	cif/ Adding structures of 7234368, 7234369, 7234370, 7234371, 7234372, 7234373, 7234374, 7234375 via cif-deposit CGI script.	7234368.cif