Crystallography Open Database

Information card for entry 7003828

Preview

Coordinates	7003828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 Co N8 O S2
Calculated formula	C27 H32 Co N8 O S2
SMILES	[Co]12([n]3c(cc(OCC)cc3C[N]1(C)C)C[N]2(C)C)(N=C=S)(N=C=S)[n]1ccc(cc1)C(=N#N)c1ccccc1
Title of publication	Formation of monometallic single-molecule magnets with an Stotal value of 3/2 in diluted frozen solution
Authors of publication	Karasawa, Satoru; Yoshihara, Daisuke; Watanabe, Natsuki; Nakano, Motohiro; Koga, Noboru
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	11
Pages of publication	1418 - 1420
a	11.8634 ± 0.0007 Å
b	12.1032 ± 0.0009 Å
c	12.5051 ± 0.0008 Å
α	115.137 ± 0.0017°
β	90.7389 ± 0.0017°
γ	113.505 ± 0.0018°
Cell volume	1454.24 ± 0.17 Å³
Cell temperature	296.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.2128
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7003828.html