Crystallography Open Database

Information card for entry 7027612

Preview

Coordinates	7027612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H25 Cl3 N6 O12 Pt2 S
Calculated formula	C31 H25 Cl3 N6 O12 Pt2 S
SMILES	[Pt]12([S]([Pt]34[n]5ccccc5c5cccc([n]35)c3[n]4cccc3)C)[n]3ccccc3c3cccc([n]13)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Platinum assisted cyclization of S-methyl 3-acyl-2-methyldithiocarbazates under mild conditions. Crystal structure of [Pt2(μ-SMe)(terpy)2][ClO4]3 †
Authors of publication	Annibale, Giuliano; Bergamini, Paola; Bertolasi, Valerio; Cattabriga, Michela; Lazzaro, Antonio; Marchi, Andrea; Vertuani, Gianni
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	21
Pages of publication	3877
a	12.538 ± 0.001 Å
b	21.802 ± 0.002 Å
c	13.969 ± 0.001 Å
α	90°
β	106.38 ± 0.01°
γ	90°
Cell volume	3663.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1131
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179982 (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 7/02/76.	7027612.cif
95538	2014-01-28	cif/ Adding structures of 7027612 via cif-deposit CGI script.	7027612.cif