Crystallography Open Database

Information card for entry 1543312

Preview

Coordinates	1543312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 Dy N12 O7 Rb
Calculated formula	C47 H40 Dy N12 O7 Rb
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	12.1604 ± 0.0004 Å
b	14.3443 ± 0.0005 Å
c	14.978 ± 0.0004 Å
α	83.549 ± 0.003°
β	68.8 ± 0.003°
γ	83.086 ± 0.003°
Cell volume	2411.43 ± 0.14 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	0.0483
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1543312.cif
182915	2016-05-13	cif/ Adding structures of 1543310, 1543311, 1543312, 1543313, 1543314 via cif-deposit CGI script.	1543312.cif