Crystallography Open Database

Information card for entry 4089633

Preview

Coordinates	4089633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N4 O3 Pt
Calculated formula	C15 H16 N4 O3 Pt
SMILES	[Pt]12(=C3N(C=CN3C)c3c2cc(N(=O)=O)cc3)OC(=CC(=[NH]1)C)C
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	20.224 ± 0.002 Å
b	7.661 ± 0.001 Å
c	21.538 ± 0.004 Å
α	90°
β	112.523 ± 0.01°
γ	90°
Cell volume	3082.5 ± 0.8 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	5
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	0.0731
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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.	4089633.cif