Crystallography Open Database

Information card for entry 4314964

Preview

Coordinates	4314964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 O8 Pb2 S8
Calculated formula	C46 H52 O8 Pb2 S8
Title of publication	Interactions of Diorganolead(IV) with 3-(2-Thienyl)-2-sulfanylpropenoic Acid and/or Thiamine: Chemical and in Vitro and in Vivo Toxicological Results
Authors of publication	José S. Casas; M. Victoria Castaño; Agustín Sánchez; José Sordo; M. Dolores Torres; María D. Couce; Angeles Gato; Carmen Álvarez-Lorenzo; M. Félix Camiña; Eduardo E. Castellano
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2173 - 2181
a	9.539 ± 0.001 Å
b	11.048 ± 0.001 Å
c	13.299 ± 0.001 Å
α	71.76 ± 0.01°
β	72.82 ± 0.01°
γ	87.67 ± 0.01°
Cell volume	1269.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179229 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49.	4314964.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314964.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314964.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4314964.cif
8107	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314964 via cif-deposit CGI script.	4314964.cif