Crystallography Open Database

Information card for entry 7229858

Preview

Coordinates	7229858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H110 Cl2 Dy6 N10 O30
Calculated formula	C86 H110 Cl2 Dy6 N10 O30
SMILES	C1[N]2=Cc3c(c(ccc3)OC)O[Dy]345672[O]2[Dy]89%10%11%12([N](CC1[O]38[Dy]138%132([N](=Cc2c(c(ccc2)[O]%11C)[O]%101)CC1C[N]2=Cc%10c([O]%11[Dy]%14%15%16%172([N](=Cc2c(c(ccc2)OC)O%16)CC2[O]%16%17[Dy]%17%18%19%11([N](C2)=Cc2cccc(OC)c2O%17)([O]%14[Dy]2%11%16([N](=Cc%14c(c(ccc%14)[O]%19C)[O]%182)CC(C[N]4=Cc2c([O]6%12)c(OC)ccc2)[O]7%11)([O]3%15)([O]58)[OH]C)[OH]C)[O]%131)c(OC)ccc%10)[OH]C)=Cc1cccc(OC)c1O9)[OH]C.N#CC.CO.[Cl-].N#CC.CO.[Cl-]
Title of publication	Structure and magnetism of two chair-shaped hexanuclear dysprosium(iii) complexes exhibiting slow magnetic relaxation
Authors of publication	Liu, Zi-Yuan; Zou, Hua-Hong; Wang, Rong; Chen, Man-Sheng; Liang, Fu-Pei
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	2
Pages of publication	767
a	12.4846 ± 0.0003 Å
b	14.5722 ± 0.0002 Å
c	15.5223 ± 0.0002 Å
α	79.157 ± 0.001°
β	67.587 ± 0.002°
γ	69.131 ± 0.002°
Cell volume	2434.88 ± 0.09 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	0.0369
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
204723 (current)	2018-01-04	cif/ Adding structures of 7229858, 7229859 via cif-deposit CGI script.	7229858.cif