Crystallography Open Database

Information card for entry 4317498

Preview

Coordinates	4317498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 S8 Tc
Calculated formula	C21 H15 S8 Tc
SMILES	[Tc]123([S]=C(SS1)c1ccccc1)([S]=C(SS2)c1ccccc1)[S]=C(S3)c1ccccc1
Title of publication	Synthesis and Characterization of the "Sulfur-Rich" Bis(perthiobenzoato)(dithiobenzoato)technetium(III) Heterocomplex
Authors of publication	Franck Mévellec; Francesco Tisato; Fiorenzo Refosco; Alain Roucoux; Nicolas Noiret; Henri Patin; Giuliano Bandoli
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	598 - 601
a	19.951 ± 0.005 Å
b	10.633 ± 0.003 Å
c	11.99 ± 0.004 Å
α	90°
β	105.75 ± 0.02°
γ	90°
Cell volume	2448 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2104
Weighted residual factors for all reflections included in the refinement	0.209
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179254 (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 4/31/74.	4317498.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317498.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317498.cif
12228	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317498 via cif-deposit CGI script.	4317498.cif