Crystallography Open Database

Information card for entry 1557654

Preview

Coordinates	1557654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 Er Fe3 Li3 O6
Calculated formula	C54 H72 Er Fe3 Li3 O6
Title of publication	Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Authors of publication	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	15
Pages of publication	3936 - 3951
a	11.4007 ± 0.0011 Å
b	63.598 ± 0.006 Å
c	13.7293 ± 0.0014 Å
α	90°
β	92.262 ± 0.004°
γ	90°
Cell volume	9946.8 ± 1.7 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.265
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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