Crystallography Open Database

Information card for entry 4124922

Preview

Coordinates	4124922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H117 Cl3 Dy O10 P3
Calculated formula	C56 H117 Cl3 Dy O10 P3
SMILES	[Dy]([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-].P(=O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.OCC.O
Title of publication	Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.
Authors of publication	Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	8
Pages of publication	2829 - 2837
a	11.7472 ± 0.0005 Å
b	29.5882 ± 0.0011 Å
c	19.4338 ± 0.0008 Å
α	90°
β	97.434 ± 0.002°
γ	90°
Cell volume	6698 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177408 (current)	2016-03-04	cif/ Updating files of 4124920, 4124921, 4124922, 4124923 Original log message: Adding full bibliography for 4124920--4124923.cif.	4124922.cif
176661	2016-02-18	cif/ Adding structures of 4124922 via cif-deposit CGI script.	4124922.cif