Crystallography Open Database

Information card for entry 1564079

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Coordinates	1564079.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bismuth(III) benzoyl-N,N-morpholylthiourea
Formula	C78 H90 Bi2 N12 O14 S6
Calculated formula	C78 H90 Bi2 N12 O14 S6
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	12.2328 ± 0.0006 Å
b	13.2313 ± 0.0007 Å
c	14.8528 ± 0.0008 Å
α	63.889 ± 0.002°
β	76.568 ± 0.002°
γ	76.802 ± 0.002°
Cell volume	2077.63 ± 0.19 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0254
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	1564079.cif