Crystallography Open Database

Information card for entry 4089635

Preview

Coordinates	4089635.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	7.068 ± 0.0004 Å
b	29.236 ± 0.0017 Å
c	9.337 ± 0.0004 Å
α	90°
β	103.324 ± 0.004°
γ	90°
Cell volume	1877.46 ± 0.18 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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

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