Crystallography Open Database

Information card for entry 7245040

Preview

Coordinates	7245040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Ni O4 P2 S4
Calculated formula	C54 H44 Ni O4 P2 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	8.8968 ± 0.0003 Å
b	16.8278 ± 0.0007 Å
c	15.914 ± 0.0007 Å
α	90°
β	96.543 ± 0.002°
γ	90°
Cell volume	2367.02 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	297.65 K
Number of distinct elements	6
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	0.0497
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7245040.cif