Crystallography Open Database

Information card for entry 7705027

Preview

Coordinates	7705027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H70 Cl2 Dy2 N12 O24
Calculated formula	C57 H70 Cl2 Dy2 N12 O24
SMILES	[Dy]123456([O]7[Dy]89%10%11([OH2])(Oc%12c(OC)cccc%12C=[N]8Nc8cccc(c%12[n]%10c(N[N]9=Cc9cccc(OC)c97)ccc%12)[n]%118)[O]2c2c(OC)cccc2C=[N]5Nc2[n]3c(ccc2)c2cccc(N[N]4=Cc3c(O1)c(OC)ccc3)[n]62)[OH]C.Cl(=O)(=O)(=O)[O-].OC.OC.O.OC.OC.O.Cl(=O)(=O)(=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	14.0961 ± 0.0009 Å
b	18.9669 ± 0.0012 Å
c	26.3438 ± 0.0018 Å
α	90°
β	104.921 ± 0.001°
γ	90°
Cell volume	6805.8 ± 0.8 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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.	7705027.cif
254828	2020-08-05	cif/ Adding structures of 7705026, 7705027, 7705028, 7705029 via cif-deposit CGI script.	7705027.cif