Crystallography Open Database

Information card for entry 4089636

Preview

Coordinates	4089636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N3 O2 Pt
Calculated formula	C21 H21 N3 O2 Pt
SMILES	[Pt]12(=C3N(C=Cn3C)c3c2cc(OC)cc3)OC(=CC(=[NH]1)C)c1ccccc1
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	22.93 ± 0.0014 Å
b	8.727 ± 0.002 Å
c	19.189 ± 0.004 Å
α	90°
β	102.453 ± 0.011°
γ	90°
Cell volume	3749.6 ± 1.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0347
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	4089636.cif