Crystallography Open Database

Information card for entry 4107502

Preview

Coordinates	4107502.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tert-butylphenyl)-N-oxylamino}pyridine]di(thiocyanato-N)cobalt(II)
Formula	C62 H68 Co N10 O4 S2
Calculated formula	C62 H68 Co N10 O4 S2
Title of publication	Crystal Design of Monometallic Single-Molecule Magnets Consisting of Cobalt-Aminoxyl Heterospins
Authors of publication	Shinji Kanegawa; Satoru Karasawa; Masataka Maeyama; Motohiro Nakano; Noboru Koga
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3079 - 3094
a	17.0307 ± 0.0011 Å
b	21.0325 ± 0.0013 Å
c	10.8981 ± 0.0008 Å
α	90°
β	129.732 ± 0.0018°
γ	90°
Cell volume	3002.1 ± 0.4 Å³
Cell temperature	296.1 K
Number of distinct elements	6
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	0.058
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107502.html