Crystallography Open Database

Information card for entry 4350641

Preview

Coordinates	4350641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 N7
Calculated formula	C34 H33 N7
SMILES	n1ccc(cc1)C(=N#N)c1cc(cc(c1)C(=N#N)c1ccc(cc1)C(C)(C)C)C(=N#N)c1ccc(cc1)C(C)(C)C
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	20.1256 ± 0.0013 Å
b	7.1107 ± 0.0005 Å
c	22.3628 ± 0.0014 Å
α	90°
β	111.708 ± 0.004°
γ	90°
Cell volume	2973.3 ± 0.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.2714
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	4350641.cif