Crystallography Open Database

Information card for entry 7042906

Preview

Coordinates	7042906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N4 Pt S4
Calculated formula	C28 H26 N4 Pt S4
SMILES	[Pt]12([S]=C(N(Cc3ccccc3)Cc3cnccc3)S1)[S]=C(N(Cc1ccccc1)Cc1cnccc1)S2
Title of publication	Large d-d luminescence energy variations in square-planar bis(dithiocarbamate) platinum(ii) and palladium(ii) complexes with near-identical MS4 motifs: a variable-pressure study.
Authors of publication	Poirier, Stéphanie; Rahmani, Feriel; Reber, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	16
Pages of publication	5279 - 5287
a	6.4927 ± 0.0015 Å
b	10.115 ± 0.003 Å
c	11.568 ± 0.003 Å
α	75.52 ± 0.014°
β	79.62 ± 0.013°
γ	72.223 ± 0.013°
Cell volume	696 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196243 (current)	2017-05-05	cif/ Adding structures of 7042905, 7042906 via cif-deposit CGI script.	7042906.cif