Crystallography Open Database

Information card for entry 4111567

Preview

Coordinates	4111567.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipp*Tl)2
Formula	C60 H74 Tl2
Calculated formula	C60 H74 Tl2
SMILES	c1(c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)[Tl][Tl]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands
Authors of publication	Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	4794 - 4799
a	20.648 ± 0.005 Å
b	15.547 ± 0.004 Å
c	16.395 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5263 ± 2 Å³
Cell temperature	90 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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