Crystallography Open Database

Information card for entry 1565748

Preview

Coordinates	1565748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 Cl8 N10 O2 S8 Sm2
Calculated formula	C50 H56 Cl8 N10 O2 S8 Sm2
SMILES	c1[n]2c(ccc1)C1=N[N](=Cc3ccccc3)[Sm]3456([O]1[Sm]1782(SC(=[S]1)N1CCCC1)([S]=C(N1CCCC1)S7)[N](=Cc1ccccc1)N=C(c1cccc[n]31)[O]48)([S]=C(N1CCCC1)S5)[S]=C(N1CCCC1)S6.ClCCl.ClCCl.C(Cl)Cl.C(Cl)Cl
Title of publication	Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties
Authors of publication	Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119124
a	9.8617 ± 0.0011 Å
b	11.4222 ± 0.0009 Å
c	15.1507 ± 0.0014 Å
α	72.438 ± 0.002°
β	84.37 ± 0.004°
γ	89.843 ± 0.004°
Cell volume	1618.6 ± 0.3 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271401 (current)	2021-12-14	cif/ Adding structures of 1565748 via cif-deposit CGI script.	1565748.cif