Crystallography Open Database

Information card for entry 7221922

7221921 << 7221922 >> 7221923

Preview

Coordinates	7221922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 Ce F18 N4 O11
Calculated formula	C33 H29 Ce F18 N4 O11
SMILES	[Ce]1234(ON5C(=N(=O)C(C5(C)C)(C)C)c5oc(C6N(O1)C(C(N=6=O)(C)C)(C)C)cc5)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F
Title of publication	A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties
Authors of publication	Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang
Journal of publication	RSC Adv.
Year of publication	2015
a	14.1078 ± 0.0004 Å
b	17.1982 ± 0.0006 Å
c	21.4263 ± 0.0005 Å
α	108.562 ± 0.003°
β	93.305 ± 0.002°
γ	113.769 ± 0.003°
Cell volume	4405.4 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.1051
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2063
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
192220 (current)	2017-02-17	cif/7 Fixing Z values and formulae	7221922.cif
153762	2015-08-28	cif/ Adding structures of 7221921, 7221922, 7221923, 7221924, 7221925, 7221926 via cif-deposit CGI script.	7221922.cif