Crystallography Open Database

Information card for entry 1565746

Preview

Coordinates	1565746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H62 N10 Nd2 O4 S8
Calculated formula	C50 H62 N10 Nd2 O4 S8
SMILES	c1cccc2C3=N[N](=Cc4ccccc4)[Nd]4567([O]3[Nd]389([n]12)(OCC)([S]=C(N1CCCC1)S3)([S]=C(S8)N1CCCC1)[N](=Cc1ccccc1)N=C(c1cccc[n]41)[O]59)(OCC)(SC(=[S]6)N1CCCC1)[S]=C(N1CCCC1)S7
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	10.837 ± 0.0014 Å
b	11.4378 ± 0.0012 Å
c	12.4842 ± 0.0015 Å
α	79.633 ± 0.003°
β	87.7 ± 0.003°
γ	73.772 ± 0.003°
Cell volume	1461.4 ± 0.3 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 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	0.078
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
271399 (current)	2021-12-14	cif/ Adding structures of 1565746 via cif-deposit CGI script.	1565746.cif