Crystallography Open Database

Information card for entry 7248395

Preview

Coordinates	7248395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Co N10 S2
Calculated formula	C18 H24 Co N10 S2
SMILES	[Co]([NH]1CCN(CC1)c1ncccn1)(N=C=S)(N=C=S)[NH]1CCN(CC1)c1ncccn1
Title of publication	Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies
Authors of publication	Hannachi, Anissa; El Bakri, Youness; Saravanan, Kandasamy; Gómez-García, Carlos J.; Abuelizz, Hatem A.; Al-Salahi, Rashad; Smirani, Wajda
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	16
Pages of publication	11557 - 11569
a	24.6697 ± 0.0019 Å
b	13.3392 ± 0.001 Å
c	15.2344 ± 0.0009 Å
α	90°
β	115.878 ± 0.004°
γ	90°
Cell volume	4510.5 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
291174 (current)	2024-04-11	cif/ Adding structures of 7248395, 7248396 via cif-deposit CGI script.	7248395.cif