Crystallography Open Database

Information card for entry 1520020

1520019 << 1520020 >> 1520021

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Coordinates	1520020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H123.33 Gd2 Mn2 N2 O22.67
Calculated formula	C62 H123.333 Gd2 Mn2 N2 O22.6666
Title of publication	Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )
Authors of publication	Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.
Journal of publication	Inorganic Chemistry
Year of publication	2015
Journal volume	54
Journal issue	12
Pages of publication	5930 - 5941
a	12.9744 ± 0.0011 Å
b	13.147 ± 0.0009 Å
c	13.1693 ± 0.0011 Å
α	86.455 ± 0.006°
β	77.91 ± 0.007°
γ	66.666 ± 0.007°
Cell volume	2016.3 ± 0.3 Å³
Cell temperature	150.1 ± 0.2 K
Ambient diffraction temperature	150.1 ± 0.2 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	0.1581
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1520020.cif
137428	2015-05-28	cif/ Adding structures of 1520020 via cif-deposit CGI script.	1520020.cif