Crystallography Open Database

Information card for entry 1565680

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Coordinates	1565680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H222 Gd12 N18 O89 Zn
Calculated formula	C128 H206 Gd12 N18 O89 Zn
Title of publication	A tridecanuclear {ZnGd12} nanoscopic cluster exhibiting large magnetocaloric effect
Authors of publication	Zhang, Lun; Yang, Pei-Pei; Li, Ling-Fei; Hu, Yi-Ye; Mei, Xue-Lan
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	499
Pages of publication	119170
a	16.742 ± 0.003 Å
b	19.257 ± 0.004 Å
c	19.408 ± 0.004 Å
α	69.79 ± 0.03°
β	72.86 ± 0.03°
γ	75 ± 0.03°
Cell volume	5524 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0731
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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