Crystallography Open Database

Information card for entry 1564081

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Coordinates	1564081.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bismuth(III) 2,6-dipicolylbis(N,N-diethylthiourea)
Formula	C102 H145 Bi6 N36 O34 S12
Calculated formula	C102 H138 Bi6 N36 O34 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	17.253 ± 0.002 Å
b	22.953 ± 0.003 Å
c	19.622 ± 0.003 Å
α	90°
β	100.207 ± 0.004°
γ	90°
Cell volume	7647.5 ± 1.8 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	0.1094
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
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.	1564081.cif