Crystallography Open Database

Information card for entry 7028400

Preview

Coordinates	7028400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H69 Cl3 Dy4 N20 O37
Calculated formula	C52 H44 Cl3 Dy4 N20 O37
Title of publication	Unique Y-shaped lanthanide aggregates and single-molecule magnet behaviour for the Dy4 analogue.
Authors of publication	Xue, Shufang; Guo, Yun-Nan; Zhao, Lang; Zhang, Peng; Tang, Jinkui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	4
Pages of publication	1564 - 1570
a	12.476 ± 0.0005 Å
b	18.1599 ± 0.0007 Å
c	19.0132 ± 0.0007 Å
α	75.704 ± 0.001°
β	79.003 ± 0.001°
γ	72.575 ± 0.001°
Cell volume	3950.8 ± 0.3 Å³
Cell temperature	191 ± 2 K
Ambient diffraction temperature	191 ± 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	0.0674
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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