Crystallography Open Database

Information card for entry 7245046

Preview

Coordinates	7245046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 As2 O4 Pt S4
Calculated formula	C52 H40 As2 O4 Pt S4
SMILES	[Pt]12(SC(=O)C(=O)S2)SC(=O)C(=O)S1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations
Authors of publication	Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan
Journal of publication	CrystEngComm
Year of publication	2022
a	10.939 ± 0.003 Å
b	13.206 ± 0.003 Å
c	18.371 ± 0.005 Å
α	110.997 ± 0.01°
β	89.98 ± 0.011°
γ	106.566 ± 0.01°
Cell volume	2359.4 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0158
Residual factor for significantly intense reflections	0.0137
Weighted residual factors for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	0.921
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
275945 (current)	2022-06-10	cif/ Adding structures of 7245040, 7245041, 7245042, 7245043, 7245044, 7245045, 7245046, 7245047 via cif-deposit CGI script.	7245046.cif