Crystallography Open Database

Information card for entry 7029501

Preview

Coordinates	7029501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H56 N6 O20 S2 Tm2
Calculated formula	C38 H48 N6 O20 S2 Tm2
SMILES	c1(cccnc1S)C1N[N]2=Cc3ccccc3O[Tm]3452([O]=1)([O]=C(C)[O]4[Tm]1246([N](=Cc7ccccc7O2)NC(c2cccnc2S)=[O]1)([O]=C(O4)C)([O]=C([O]56)C)[OH2])([OH2])[O]=C(O3)C.OC.OC.O.OC.OC.O
Title of publication	Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.
Authors of publication	Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6262 - 6268
a	9.3882 ± 0.0012 Å
b	10.9654 ± 0.0014 Å
c	13.1679 ± 0.0016 Å
α	111.464 ± 0.002°
β	92.422 ± 0.002°
γ	91.767 ± 0.002°
Cell volume	1258.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0371
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
180001 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/95.	7029501.cif
108328	2014-03-30	cif/ Adding structures of 7029498, 7029499, 7029500, 7029501, 7029502 via cif-deposit CGI script.	7029501.cif