Crystallography Open Database

Information card for entry 7060044

Preview

Coordinates	7060044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H97 N12 O33 Sm5
Calculated formula	C71 H85 N12 O30 Sm5
Title of publication	Structures and magnetic properties of novel Ln(iii)-based pentanuclear clusters: magnetic refrigeration and single-molecule magnet behavior
Authors of publication	Wang, Wen-Min; Zhang, Tian-Tian; Wang, Dan; Cui, Jian-Zhong
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	44
Pages of publication	19351 - 19359
a	14.5006 ± 0.0008 Å
b	15.8759 ± 0.0009 Å
c	20.668 ± 0.001 Å
α	86.265 ± 0.002°
β	74.635 ± 0.002°
γ	89.297 ± 0.003°
Cell volume	4578.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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