Crystallography Open Database

Information card for entry 7055086

Preview

Coordinates	7055086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 F6 N5 O9 S2 Tb
Calculated formula	C54 H48 F6 N5 O9 S2 Tb
Title of publication	Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series
Authors of publication	Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	11
Pages of publication	8650
a	13.0712 ± 0.0013 Å
b	15.13 ± 0.0007 Å
c	15.7825 ± 0.0007 Å
α	118.258 ± 0.003°
β	97.533 ± 0.004°
γ	91.684 ± 0.004°
Cell volume	2710.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.0612
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
171319 (current)	2015-12-09	cif/ Updating files of 7055083, 7055084, 7055085, 7055086, 7055087 Original log message: Adding full bibliography for 7055083--7055087.cif.	7055086.cif
153785	2015-08-29	cif/ Adding structures of 7055083, 7055084, 7055085, 7055086, 7055087 via cif-deposit CGI script.	7055086.cif