Crystallography Open Database

Information card for entry 4328621

Preview

Coordinates	4328621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H30 N4 O Pt2 S4
Calculated formula	C43 H30 N4 O Pt2 S4
SMILES	[Pt]123([Pt]4(Sc5sc6ccccc6[n]25)([n]2cccc5ccc6cccc4c6c25)[n]2c(S1)sc1c2cccc1)[n]1cccc2ccc4cccc3c4c12.O=C(C)C
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	11.1819 ± 0.0003 Å
b	11.7099 ± 0.0003 Å
c	15.5443 ± 0.0004 Å
α	84.613 ± 0.002°
β	73.393 ± 0.002°
γ	71.687 ± 0.002°
Cell volume	1851.65 ± 0.09 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0277
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.0424
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179389 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/86.	4328621.cif
77615	2013-03-29	cif/ Adding structures of 4328621 via cif-deposit CGI script.	4328621.cif