Crystallography Open Database

Information card for entry 7245043

Preview

Coordinates	7245043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H50 Cl6 O4 P2 Pd S4
Calculated formula	C57 H50 Cl6 O4 P2 Pd S4
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	8.7497 ± 0.0005 Å
b	10.1139 ± 0.0006 Å
c	16.8551 ± 0.001 Å
α	81.465 ± 0.002°
β	75.796 ± 0.002°
γ	81.299 ± 0.002°
Cell volume	1419.65 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7245043.cif