Crystallography Open Database

Information card for entry 4107506

Preview

Coordinates	4107506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 N2 O
Calculated formula	C29 H21 N2 O
SMILES	O=[N](c1ccncc1)c1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
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	18.2162 ± 0.0006 Å
b	10.8471 ± 0.0005 Å
c	22.0773 ± 0.0008 Å
α	90°
β	98.4008 ± 0.001°
γ	90°
Cell volume	4315.5 ± 0.3 Å³
Cell temperature	123.1 K
Number of distinct elements	4
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	0.0525
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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