Crystallography Open Database

Information card for entry 4348938

Preview

Coordinates	4348938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Co3 N6 O12 S2
Calculated formula	C30 H50 Co3 N6 O12 S2
SMILES	c1cccc2C[N]34CC[O]5[Co]64([n]12)(N=C=S)[O](CC3)[Co]125([O]=C(O6)C)[O]3CC[N]45Cc6cccc[n]6[Co]34(N=C=S)([O]1CC5)[O]=C(O2)C.OC.OC.OC.OC
Title of publication	Synthesis, structure, and magnetic properties of dicopper and tricobalt complexes based on N-(2-pyridylmethyl)iminodiethanol
Authors of publication	Shin, Jong Won; Jeong, Ah Rim; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	8
Pages of publication	763
a	26.164 ± 0.005 Å
b	10.106 ± 0.002 Å
c	19.468 ± 0.004 Å
α	90°
β	125.82 ± 0.03°
γ	90°
Cell volume	4174 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0851
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.222
Weighted residual factors for all reflections included in the refinement	0.2345
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.70001 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233498 (current)	2019-11-23	cif/ Adding structures of 4348938, 4348939 via cif-deposit CGI script.	4348938.cif