Crystallography Open Database

Information card for entry 7048451

Preview

Coordinates	7048451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H66 Br3 Dy N9 O9 P3
Calculated formula	C18 H66 Br3 Dy N9 O9 P3
Title of publication	A new air- and moisture-stable pentagonal-bipyramidal Dy<sup>III</sup> single-ion magnet based on the HMPA ligand.
Authors of publication	Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Xu, Ya-Chao; Wang, Wen-Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	2213 - 2219
a	11.624 ± 0.0017 Å
b	39.353 ± 0.006 Å
c	19.919 ± 0.003 Å
α	90°
β	101.509 ± 0.003°
γ	90°
Cell volume	8929 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2067
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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
224158 (current)	2019-11-07	cif/ Updating files of 7048451 Original log message: Adding full bibliography for 7048451.cif.	7048451.cif
212937	2019-01-11	cif/ Adding structures of 7048451 via cif-deposit CGI script.	7048451.cif