Crystallography Open Database

Information card for entry 7229859

Preview

Coordinates	7229859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H124 Dy6 N2 O34
Calculated formula	C76 H124 Dy6 N2 O34
SMILES	C1(C(C)(C)C)O[Dy]2345(OCC6C[N]7=Cc8c9c([O](C)[Dy]%10%11%12%13%14%15OC(=[O][Dy]%16%17%18%197([O]=C([O]2%16)C(C)(C)C)([O]46[Dy]246([O]=C(C(C)(C)C)O3)(O1)([O]5%18C)[O](c1c3c(ccc1)C=[N]1CC5CO[Dy]7%16(OC(=O)C(C)(C)C)([O]=C(C(C)(C)C)O%13)([O]%13C(=[O][Dy]%181%13([O]%10%17[O]%194%18)([O]=C(C(C)(C)C)O2)([O]%1457)([O]63)[O]%15%16C)C(C)(C)C)([OH]C)[O]=C(C(C)(C)C)O%12)C)[O]9%11)C(C)(C)C)ccc8)(OC(=O)C(C)(C)C)[OH]C
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	13.4065 ± 0.0003 Å
b	21.701 ± 0.0004 Å
c	17.9936 ± 0.0004 Å
α	90°
β	99.84 ± 0.002°
γ	90°
Cell volume	5157.95 ± 0.19 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0652
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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.	7229859.cif