Crystallography Open Database

Information card for entry 4325947

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Coordinates	4325947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H57 N9 O18 Tb
Calculated formula	C39 H45 N9 O18 Tb
Title of publication	Single-Molecule Magnetic Behavior in a Neutral Terbium(III) Complex of a Picolinate-Based Nitronyl Nitroxide Free Radical
Authors of publication	Eugenio Coronado; Carlos Giménez-Saiz; Alejandro Recuenco; Ana Tarazón; Francisco M. Romero; Agustín Camón; Fernando Luis
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7370 - 7372
a	31.4376 ± 0.0007 Å
b	20.7506 ± 0.0007 Å
c	17.3623 ± 0.0005 Å
α	90°
β	116.895 ± 0.002°
γ	90°
Cell volume	10101.2 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1171
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.177
Weighted residual factors for all reflections included in the refinement	0.2536
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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