Crystallography Open Database

Information card for entry 1565740

Preview

Coordinates	1565740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 La2 N10 O4 S8
Calculated formula	C42 H54 La2 N10 O4 S8
SMILES	c1cccc2C3=N[N](=Cc4ccccc4)[La]4567([O]3[La]389([n]12)(OCC)([S]=C(S3)N(C)C)([S]=C(N(C)C)S9)[N](=Cc1ccccc1)N=C(c1cccc[n]41)[O]58)(OCC)([S]=C(N(C)C)S6)[S]=C(N(C)C)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	10.5657 ± 0.0011 Å
b	22.305 ± 0.002 Å
c	11.9038 ± 0.0013 Å
α	90°
β	106.86 ± 0.003°
γ	90°
Cell volume	2684.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.2216
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
271393 (current)	2021-12-14	cif/ Adding structures of 1565740 via cif-deposit CGI script.	1565740.cif