Crystallography Open Database

Information card for entry 1552331

Preview

Coordinates	1552331.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DyEr@C82/NiOEP/C7H8
Formula	C125 H52 Dy Er N4 Ni
Calculated formula	C124.5 H54 Dy1.0001 Er1.0001 N4 Ni
Title of publication	A luminescent single-molecule magnet of dimetallofullerene with cage-dependent properties.
Authors of publication	Nie, Mingzhe; Yang, Le; Zhao, Chong; Meng, Haibing; Feng, Lai; Jin, Peng; Wang, Chunru; Wang, Taishan
Journal of publication	Nanoscale
Year of publication	2019
Journal volume	11
Journal issue	40
Pages of publication	18612 - 18618
a	25.2129 ± 0.0004 Å
b	14.9535 ± 0.0003 Å
c	20.2524 ± 0.0005 Å
α	90°
β	97.136 ± 0.002°
γ	90°
Cell volume	7576.4 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0917
Weighted residual factors for significantly intense reflections	0.2588
Weighted residual factors for all reflections included in the refinement	0.2717
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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