Crystallography Open Database

Information card for entry 7219060

7219059 << 7219060 >> 7219061

Preview

Coordinates	7219060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H6 Cl D5 N5 Pt S4
Calculated formula	C20 H6 Cl D5 N5 Pt S4
SMILES	[Pt]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.Clc1ccc(C[n+]2c([2H])c([2H])c([2H])c([2H])c2[2H])cc1
Title of publication	Investigation of structural and magnetic properties for two one-dimensional platinum-bis-dithiolene spin-Peierls-like transition salts
Authors of publication	Ren, XiaoMing; Sui, Yun-Xia; Chen, Tian-Yu; Ning, Wei-Hua
Journal of publication	RSC Adv.
Year of publication	2014
a	12.242 ± 0.0018 Å
b	26.527 ± 0.004 Å
c	7.3442 ± 0.001 Å
α	90°
β	103.857 ± 0.004°
γ	90°
Cell volume	2315.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1396
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219060.cif
128571	2014-12-13	cif/ Adding structures of 7219058, 7219059, 7219060, 7219061 via cif-deposit CGI script.	7219060.cif