Crystallography Open Database

Information card for entry 7705028

Preview

Coordinates	7705028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H63 Dy2 N14 O21
Calculated formula	C55 H63 Dy2 N14 O21
SMILES	COc1cccc2c1O[Dy]13456([N](=C2)Nc2cccc(c7cccc([n]37)N[N]4=Cc3cccc(c3[O]6[Dy]34678([N](=Cc9cccc(c9O8)OC)Nc8cccc(c9cccc([n]49)N[N]6=Cc4c(c(ccc4)OC)[O]57)[n]38)[OH2])OC)[n]12)[OH]C.CO.CO.N(=O)(=O)[O-].O.O.O.O=N(=O)[O-]
Title of publication	Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets.
Authors of publication	Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12372 - 12379
a	14.515 ± 0.003 Å
b	18.063 ± 0.004 Å
c	27.276 ± 0.007 Å
α	90°
β	92.25 ± 0.005°
γ	90°
Cell volume	7146 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
257565 (current)	2020-10-06	cif/ Updating files of 7705026, 7705027, 7705028, 7705029 Original log message: Adding full bibliography for 7705026--7705029.cif.	7705028.cif
254828	2020-08-05	cif/ Adding structures of 7705026, 7705027, 7705028, 7705029 via cif-deposit CGI script.	7705028.cif