Crystallography Open Database

Information card for entry 7219441

7219440 << 7219441 >> 7219442

Preview

Coordinates	7219441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H38 Dy F18 N5 O10
Calculated formula	C37.5 H38 Dy F18 N5 O10
SMILES	[Dy]1234(ON5C(c6cccc(C7=N(C(C(C)(C)N7O1)(C)C)=O)n6)=N(C(C5(C)C)(C)C)=O)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O4.CCCCCCC
Title of publication	A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties
Authors of publication	Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang
Journal of publication	RSC Adv.
Year of publication	2015
a	12.223 ± 0.002 Å
b	12.935 ± 0.003 Å
c	31.349 ± 0.006 Å
α	89.49 ± 0.03°
β	80.03 ± 0.03°
γ	75.48 ± 0.03°
Cell volume	4722.6 ± 1.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1217
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.238
Weighted residual factors for all reflections included in the refinement	0.248
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182989 (current)	2016-05-17	Fixing some Z values and formulae	7219441.cif
180525	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219441.cif
130244	2015-01-31	cif/ Adding structures of 7219441, 7219442, 7219443, 7219444, 7219445, 7219446 via cif-deposit CGI script.	7219441.cif