Crystallography Open Database

Information card for entry 4348979

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Coordinates	4348979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H128 Cu4 Gd N5 O16
Calculated formula	C110 H48 Cu4 Gd N5 O16
Title of publication	‘All three-in-one’: ferromagnetic interactions, single-molecule magnetism and magnetocaloric properties in a new family of [Cu4Ln] (LnIII = Gd, Tb, Dy) clusters
Authors of publication	Richardson, Paul; Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	10
Pages of publication	945
a	30.4012 ± 0.0017 Å
b	30.4012 ± 0.0017 Å
c	23.676 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	21882 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233523 (current)	2019-11-23	cif/ Adding structures of 4348979, 4348980 via cif-deposit CGI script.	4348979.cif