Crystallography Open Database

Information card for entry 4089631

Preview

Coordinates	4089631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Br Cl2 N3 O Pt
Calculated formula	C16 H18 Br Cl2 N3 O Pt
SMILES	[Pt]12(=C3N(C=CN3C)c3c2cc(Br)cc3)OC(=CC(=[NH]1)C)C.ClCCl
Title of publication	C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands
Authors of publication	Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	898
a	12.404 ± 0.003 Å
b	13.057 ± 0.003 Å
c	12.406 ± 0.002 Å
α	90°
β	111.18 ± 0.03°
γ	90°
Cell volume	1873.5 ± 0.8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0416
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
243711 (current)	2019-11-26	cif/ Adding structures of 4089628, 4089629, 4089630, 4089631, 4089632, 4089633, 4089634, 4089635, 4089636 via cif-deposit CGI script.	4089631.cif