Crystallography Open Database

Information card for entry 7108813

Preview

Coordinates	7108813.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	palladium-thallium carbonylphosphine hexafluorophosphate
Chemical name	tris(μ~3~-carbonyl)-hexakis(μ~2~-carbonyl)-hexakis (triphenylphosphine)-thallium-nona-palladium hexafluorophosphate tetrahydrofuran-methylenchloride solvate
Formula	C124.26 H104.52 Cl1.32 F6 O10.65 P7 Pd9 Tl
Calculated formula	C124.26 H104.52 Cl1.32 F6.12 O10.65 P7.01 Pd9 Tl
Title of publication	How innocent is thallium(I)? Corrected formulations of [Tl2Pd14(CO)9(PMe3)11][PF6]2 and [TlPd9(CO)9(PPh3)6][PF6] clusters previously reported as corresponding Au2Pd14 and AuPd9 clusters
Authors of publication	Evgueni G. Mednikov; Lawrence F. Dahl
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	11
Pages of publication	1085 - 1087
a	22.5771 ± 0.0008 Å
b	22.5771 ± 0.0008 Å
c	39.3024 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	17349.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.