Crystallography Open Database

Information card for entry 7709738

Preview

Coordinates	7709738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N4 O2 Pt
Calculated formula	C24 H18 N4 O2 Pt
SMILES	[Pt]12(c3c(cc(cc3c3nccc[n]23)OC)c2nccc[n]12)C#Cc1ccc(OC)cc1
Title of publication	Luminescent cyclometalated alkynylplatinum(II) complexes with 1,3-di(pyrimidin-2-yl)benzene ligands: synthesis, electrochemistry, photophysics and computational studies
Authors of publication	Hruzd, Mariia; Le Poul, Nicolas; Cordier, Marie; Kahlal, samia; Saillard, Jean-Yves; Achelle, Sylvain; Gauthier, Sebastien; Le Guen, Françoise Robin
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.4772 ± 0.0012 Å
b	7.8562 ± 0.0005 Å
c	20.3724 ± 0.0018 Å
α	90°
β	94.458 ± 0.006°
γ	90°
Cell volume	1990.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation probe	x-ray
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
273669 (current)	2022-03-12	cif/ Adding structures of 7709737, 7709738 via cif-deposit CGI script.	7709738.cif