Crystallography Open Database

Information card for entry 4089629

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Coordinates	4089629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 N O
Calculated formula	C10 H11 N O
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	9.8639 ± 0.0001 Å
b	8.6409 ± 0.0001 Å
c	19.7464 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1683.04 ± 0.03 Å³
Cell temperature	193 ± 1 K
Ambient diffraction temperature	193 ± 1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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