Crystallography Open Database

Information card for entry 7241653

Preview

Coordinates	7241653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 N2 Ni O4 P2 S4
Calculated formula	C32 H36 N2 Ni O4 P2 S4
SMILES	[Ni]123([S]=P(S1)(OCCC)c1ccc(OC)cc1)([S]=P(S2)(OCCC)c1ccc(OC)cc1)[n]1cccc2ccc4ccc[n]3c4c12
Title of publication	Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies
Authors of publication	Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	69
Pages of publication	41967 - 41982
a	10.8316 ± 0.0006 Å
b	13.2433 ± 0.0008 Å
c	14.1413 ± 0.0009 Å
α	65.148 ± 0.003°
β	89.961 ± 0.003°
γ	71.017 ± 0.003°
Cell volume	1718.55 ± 0.19 Å³
Cell temperature	99.99 K
Ambient diffraction temperature	99.99 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	0.0611
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation probe	x-ray
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
259575 (current)	2020-12-06	cif/ Adding structures of 7241653, 7241654, 7241655, 7241656, 7241657 via cif-deposit CGI script.	7241653.cif