Crystallography Open Database

Information card for entry 1543311

Preview

Coordinates	1543311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 Dy K N12 O7
Calculated formula	C47 H40 Dy K N12 O7
Title of publication	Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field
Authors of publication	Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	8
Pages of publication	5020
a	12.3164 ± 0.0002 Å
b	14.0599 ± 0.0003 Å
c	14.9899 ± 0.0003 Å
α	85.328 ± 0.002°
β	68.185 ± 0.002°
γ	84.879 ± 0.002°
Cell volume	2396.98 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.034
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
185153 (current)	2016-08-07	cif/ Updating files of 1543310, 1543311, 1543312, 1543313, 1543314 Original log message: Adding full bibliography for 1543310--1543314.cif.	1543311.cif
182915	2016-05-13	cif/ Adding structures of 1543310, 1543311, 1543312, 1543313, 1543314 via cif-deposit CGI script.	1543311.cif