Crystallography Open Database

Information card for entry 4350642

Preview

Coordinates	4350642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 N5
Calculated formula	C19 H13 N5
SMILES	N(#N)=C(c1cc(C(=N#N)c2ccncc2)ccc1)c1ccccc1
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	13.126 ± 0.006 Å
b	7.335 ± 0.004 Å
c	18.504 ± 0.009 Å
α	90°
β	122.143 ± 0.006°
γ	90°
Cell volume	1508.5 ± 1.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4350642.cif