Crystallography Open Database

Information card for entry 1551901

1551900 << 1551901 >> 1551902

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Coordinates	1551901.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DCP2
Chemical name	Tris(μ~2~-acetato)-bis(benzo[<i>h<ι>]quinolato)-(μ~2~-chloro)- tripalladium(II)
Formula	C32 H25 Cl N2 O6 Pd3
Calculated formula	C32 H25 Cl N2 O6 Pd3
SMILES	[Pd]12([O]=C(C)O[Pd]3([Cl][Pd]4([n]5cccc6ccc7cccc4c7c56)[O]=C(O3)C)[O]=C(O2)C)[n]2cccc3ccc4cccc1c4c23
Title of publication	Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation
Authors of publication	David C. Powers; Tobias Ritter
Journal of publication	Nature Chemistry
Year of publication	2009
Journal volume	1
Pages of publication	302 - 309
a	10.0632 ± 0.0002 Å
b	11.2475 ± 0.0002 Å
c	13.923 ± 0.0002 Å
α	96.989 ± 0.001°
β	95.423 ± 0.001°
γ	108.992 ± 0.001°
Cell volume	1463.85 ± 0.05 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
216565 (current)	2019-06-26	cif/ Adding structures of 1551901 via cif-deposit CGI script.	1551901.cif