Crystallography Open Database

Information card for entry 4076407

Preview

Coordinates	4076407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H28 Cl N6 O3 Pt S4
Calculated formula	C17 H29 Cl N6 O3 Pt S4
SMILES	[Pt]12(c3c(C(=[N]2NC(=[S]1)N)C)scc3)[S]=C(N)N/N=C(c1sccc1)\C.[Cl-].OC.OC.OC
Title of publication	Organoplatinum(II) Complexes with 2-Acetylthiophene Thiosemicarbazone: Synthesis, Characterization, Crystal Structures, and in Vitro Antitumor Activity
Authors of publication	Ali, Awadelkareem A.; Nimir, Hassan; Aktas, Cenk; Huch, Volker; Rauch, Ulrich; Schäfer, Karl-Herbert; Veith, Michael
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2256
a	7.7013 ± 0.0014 Å
b	12.887 ± 0.002 Å
c	15.119 ± 0.003 Å
α	70.48 ± 0.008°
β	75.639 ± 0.009°
γ	75.383 ± 0.009°
Cell volume	1346.3 ± 0.4 Å³
Cell temperature	222 ± 2 K
Ambient diffraction temperature	222 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2018
Weighted residual factors for all reflections included in the refinement	0.2082
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
178653 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/64.	4076407.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076407.cif
51947	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076407 via cif-deposit CGI script.	4076407.cif