Crystallography Open Database

Information card for entry 4350643

Preview

Coordinates	4350643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Co N4 O2
Calculated formula	C36 H28.5 Co N4 O2
SMILES	[Co]12(Oc3ccccc3C=[N]2c2ccccc2)(Oc2c(C=[N]1c1ccccc1)cccc2)([n]1ccccc1)[n]1ccccc1
Title of publication	Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.
Authors of publication	Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	11
Pages of publication	5447 - 5457
a	9.6221 ± 0.0018 Å
b	17 ± 0.003 Å
c	18.84 ± 0.004 Å
α	99.1 ± 0.002°
β	97.125 ± 0.002°
γ	100.784 ± 0.002°
Cell volume	2951.5 ± 1 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
239976 (current)	2019-11-25	cif/ Adding structures of 4350640, 4350641, 4350642, 4350643 via cif-deposit CGI script.	4350643.cif