Crystallography Open Database

Information card for entry 4328622

Preview

Coordinates	4328622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H29 Cl7 N4 Pt2 S4
Calculated formula	C42.5 H29 Cl7 N4 Pt2 S4
SMILES	[Pt]123([Pt]4(Cl)(Sc5sc6ccccc6[n]25)([n]2cccc5ccc6cccc4c6c25)[n]2c(S1)sc1ccccc21)(Cl)[n]1cccc2ccc4cccc3c4c12.ClCCl.ClCCl.ClCCl
Title of publication	Highly Luminescent Half-Lantern Cyclometalated Platinum(II) Complex: Synthesis, Structure, Luminescence Studies, and Reactivity.
Authors of publication	Violeta Sicilia; Juan Forniés; José M Casas; Antonio Martín; José A. López; Carmen Larraz; Pilar Borja; Carmen Ovejero; Daniel Tordera; Henk Bolink
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3427 - 3435
a	13.3386 ± 0.0002 Å
b	17.2028 ± 0.0003 Å
c	19.0478 ± 0.0003 Å
α	91.242 ± 0.001°
β	95.097 ± 0.001°
γ	98.189 ± 0.001°
Cell volume	4306.45 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4328622.cif
77616	2013-03-29	cif/ Adding structures of 4328622 via cif-deposit CGI script.	4328622.cif