Crystallography Open Database

Information card for entry 7042905

Preview

Coordinates	7042905.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	6.4423 ± 0.0002 Å
b	10.0534 ± 0.0003 Å
c	11.5378 ± 0.0003 Å
α	74.949 ± 0.001°
β	80 ± 0.001°
γ	71.428 ± 0.001°
Cell volume	680.67 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0283
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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.	7042905.cif