Crystallography Open Database

Information card for entry 4328623

Preview

Coordinates	4328623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H30 Br2 Cl6 N4 Pt2 S4
Calculated formula	C43 H30 Br2 Cl6 N4 Pt2 S4
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	17.1442 ± 0.0003 Å
b	14.5836 ± 0.0002 Å
c	20.094 ± 0.0004 Å
α	90°
β	112.661 ± 0.002°
γ	90°
Cell volume	4636.14 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4328623.cif
77617	2013-03-29	cif/ Adding structures of 4328623 via cif-deposit CGI script.	4328623.cif