Crystallography Open Database

Information card for entry 4089105

Preview

Coordinates	4089105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N2 O Pt S
Calculated formula	C22 H22 N2 O Pt S
SMILES	[Pt]12(=C3SC(=C(N3c3c2cccc3)C)C)OC(=CC(=[N]1c1ccccc1)C)C
Title of publication	Phosphorescent Thiazol-2-ylidene Platinum(II) Complexes with β-Ketoiminates: Single Isomer Formation by Ligand Architecture
Authors of publication	Leopold, Hendrik; Strassner, Thomas
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	24
Pages of publication	4050
a	8.9496 ± 0.0018 Å
b	18.124 ± 0.004 Å
c	11.871 ± 0.002 Å
α	90°
β	94.78 ± 0.03°
γ	90°
Cell volume	1918.8 ± 0.7 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	6
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	0.0532
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.237
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
237988 (current)	2019-11-24	cif/ Adding structures of 4089105, 4089106 via cif-deposit CGI script.	4089105.cif