Crystallography Open Database

Information card for entry 2204983

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Structure parameters

Chemical name	rac-[2-(1-Aminoethyl)phenyl-κ^2^C^1^,N](hexafluoroacetylacetonato- κ^2^O,O')palladium(II)
Formula	C13 H11 F6 N O2 Pd
Calculated formula	C13 H11 F6 N O2 Pd
SMILES	[Pd]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[NH2]C(c1c2cccc1)C
Title of publication	<i>rac</i>-[2-(1-Aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')palladium(II)
Authors of publication	Calmuschi, Beatrice; Englert, Ulli
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	1
Pages of publication	m168 - m170
a	23.283 ± 0.012 Å
b	8.824 ± 0.006 Å
c	15.562 ± 0.01 Å
α	90°
β	112.574 ± 0.0013°
γ	90°
Cell volume	2952 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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