Crystallography Open Database

Information card for entry 1564292

Preview

Coordinates	1564292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H7 Dy F18 O8
Calculated formula	C15 H7 Dy F18 O8
SMILES	C(C1=CC(C(F)(F)F)=[O][Dy]23(O1)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)([OH2])[OH2])(F)(F)F
Title of publication	Observation of field-induced single-ion magnet behavior in a mononuclear DyIII complex by co-crystallization of a square-planar CuII complex
Authors of publication	Li, Xi-Li; Li, Junfeng; Wang, Ailing; Liu, Cai-Ming; Cui, Minghui; Zhang, Yi-Quan
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	510
Pages of publication	119718
a	21.401 ± 0.0016 Å
b	19.267 ± 0.002 Å
c	16.0855 ± 0.0012 Å
α	90°
β	91.054 ± 0.003°
γ	90°
Cell volume	6631.5 ± 1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
267857 (current)	2021-07-31	cif/ Adding structures of 1564292 via cif-deposit CGI script.	1564292.cif