Crystallography Open Database

Information card for entry 1564080

Preview

Coordinates	1564080.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bismuth(III) benzoyl-N,N-diethyltiourea
Formula	C144 H183 Bi3 N24 O12 S12
Calculated formula	C144 H183 Bi3 N24 O12 S12
Title of publication	Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands
Authors of publication	de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119871
a	71.6534 ± 0.0014 Å
b	10.6297 ± 0.0004 Å
c	21.2674 ± 0.0009 Å
α	90°
β	103.808 ± 0.0014°
γ	90°
Cell volume	15730.3 ± 0.9 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267423 (current)	2021-07-09	cif/ Adding structures of 1564079, 1564080, 1564081 via cif-deposit CGI script.	1564080.cif