Crystallography Open Database

Information card for entry 7055085

Preview

Coordinates	7055085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H45 Dy F6 N5 O8.5 S2
Calculated formula	C53 H45 Dy F6 N5 O8.5 S2
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	13.001 ± 0.003 Å
b	14.9878 ± 0.0017 Å
c	15.6387 ± 0.0019 Å
α	117.175 ± 0.002°
β	95.878 ± 0.003°
γ	92.955 ± 0.003°
Cell volume	2680 ± 0.8 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	0.0453
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7055085.cif
171319	2015-12-09	cif/ Updating files of 7055083, 7055084, 7055085, 7055086, 7055087 Original log message: Adding full bibliography for 7055083--7055087.cif.	7055085.cif
153785	2015-08-29	cif/ Adding structures of 7055083, 7055084, 7055085, 7055086, 7055087 via cif-deposit CGI script.	7055085.cif