Crystallography Open Database

Information card for entry 4089632

Preview

Coordinates	4089632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Br N3 O Pt
Calculated formula	C15 H16 Br N3 O Pt
SMILES	[Pt]12(=C3N(C=CN3C)c3c2cc(Br)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	7.354 ± 0.003 Å
b	12.096 ± 0.005 Å
c	16.531 ± 0.007 Å
α	90°
β	96.349 ± 0.004°
γ	90°
Cell volume	1461.5 ± 1.1 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 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	0.0381
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	4089632.cif