Crystallography Open Database

Information card for entry 4107288

Preview

Coordinates	4107288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 F6 I6 P6 Pt3
Calculated formula	C54 H72 F6 I6 P6 Pt3
Title of publication	Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies
Authors of publication	Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	724 - 731
a	16.2719 ± 0.0001 Å
b	27.306 ± 0.0003 Å
c	15.1544 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6733.4 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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