Crystallography Open Database

Information card for entry 4124921

Preview

Coordinates	4124921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H142 Br3 Dy O9 P4
Calculated formula	C72 H142 Br3 Dy O9 P4
SMILES	[Dy]([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([OH2])([OH2])([OH2])([OH2])[OH2].[Br-].[Br-].[Br-].P(=O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.P(=O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
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	40.4082 ± 0.0015 Å
b	14.2356 ± 0.0007 Å
c	33.0134 ± 0.0014 Å
α	90°
β	102.663 ± 0.001°
γ	90°
Cell volume	18528.5 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1342
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

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.	4124921.cif
176660	2016-02-18	cif/ Adding structures of 4124921 via cif-deposit CGI script.	4124921.cif