Crystallography Open Database

Information card for entry 7003827

Preview

Coordinates	7003827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Co F12 N6 O4
Calculated formula	C40 H38 Co F12 N6 O4
SMILES	[Co]12(OC(=CC(=[N]1c1ccccc1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[N]2c1ccccc1)C(F)(F)F)C(F)(F)F)([n]1ccc([N](=O)C(C)(C)C)cc1)[n]1ccc([N](=O)C(C)(C)C)cc1
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	11.1742 ± 0.0007 Å
b	21.3708 ± 0.0015 Å
c	18.4941 ± 0.0011 Å
α	90°
β	101.717 ± 0.0017°
γ	90°
Cell volume	4324.4 ± 0.5 Å³
Cell temperature	123.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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