Crystallography Open Database

Information card for entry 4348295

Preview

Coordinates	4348295.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	P2
Formula	C46 H50 Cl4 N18 O3 Pt2 S7
Calculated formula	C46 H50 Cl4 N18 O3 Pt2 S7
SMILES	c1(ccc(cc1)Cl)NC1=N[N]2=C(c3n4nc(C(=NN=C(Nc5ccc(cc5)Cl)S[Pt]56SC(=N[N]5=C(c5n6nc(C(=NN=C(Nc6ccc(cc6)Cl)S[Pt]24S1)C)n5)C)Nc1ccc(cc1)Cl)C)n3)C.CS(C)=O.CS(C)=O.CS(C)=O
Title of publication	A structural and biological study on the new 3,5-diacetyl-1,2,4-triazol bis(p-chlorophenylthiosemicarbazone) ligand and its bimetallic complexes
Authors of publication	Matesanz, A. I.; Albacete, P.; Perles, J.; Souza, P.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	1
Pages of publication	75
a	14.6278 ± 0.0002 Å
b	15.606 ± 0.0002 Å
c	15.6896 ± 0.0003 Å
α	66.436 ± 0.001°
β	81.756 ± 0.001°
γ	68.305 ± 0.001°
Cell volume	3050.39 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0812
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232865 (current)	2019-11-23	cif/ Adding structures of 4348294, 4348295 via cif-deposit CGI script.	4348295.cif