Crystallography Open Database

Information card for entry 7028606

Preview

Coordinates	7028606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Bi N3 O4 S4
Calculated formula	C44.006 H36 Bi N3 O4 S4
Title of publication	Bismuth(III) β-thioxoketonates as antibiotics against Helicobacter pylori and as anti-leishmanial agents.
Authors of publication	Andrews, Philip C.; Blair, Victoria L.; Ferrero, Richard L.; Junk, Peter C.; Kedzierski, Lukasz; Peiris, Roshani M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1279 - 1291
a	10.33 ± 0.002 Å
b	10.453 ± 0.002 Å
c	19.993 ± 0.004 Å
α	102.31 ± 0.03°
β	101.71 ± 0.03°
γ	97.19 ± 0.03°
Cell volume	2033 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0919
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179992 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/86.	7028606.cif
105374	2014-03-12	cif/ Adding structures of 7028606 via cif-deposit CGI script.	7028606.cif