Crystallography Open Database

Information card for entry 4350763

Preview

Coordinates	4350763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C200 H184 Fe12 N4 O86 Sm4
Calculated formula	C199 H177 Fe12 N4 O86 Sm4
Title of publication	Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands
Authors of publication	Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	2
Pages of publication	200
a	17.79 ± 0.003 Å
b	18.955 ± 0.003 Å
c	19.512 ± 0.004 Å
α	118.971 ± 0.011°
β	95.426 ± 0.017°
γ	106.737 ± 0.013°
Cell volume	5293 ± 2 Å³
Cell temperature	113 K
Ambient diffraction temperature	386 ± 2 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 all reflections	0.0581
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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