Crystallography Open Database

Information card for entry 7241654

Preview

Coordinates	7241654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Co N2 O4 P2 S4
Calculated formula	C32 H36 Co N2 O4 P2 S4
SMILES	[Co]123([S]=P(S1)(OC(C)C)c1ccc(OC)cc1)([S]=P(S2)(OC(C)C)c1ccc(OC)cc1)[n]1c2c4[n]3cccc4ccc2ccc1
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	10.8831 ± 0.0002 Å
b	12.4185 ± 0.0002 Å
c	14.1718 ± 0.0003 Å
α	91.535 ± 0.001°
β	97.539 ± 0.001°
γ	109.807 ± 0.001°
Cell volume	1781.23 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0346
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	7241654.cif