Crystallography Open Database

Information card for entry 4101543

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Coordinates	4101543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 F2 I2 P2 Pt
Calculated formula	C18 H24 F2 I2 P2 Pt
SMILES	[Pt]1(I)(I)([P](CC[P]1(C)C)(C)C)(c1ccc(F)cc1)c1ccc(F)cc1
Title of publication	Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine complexes.
Authors of publication	Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	27
Pages of publication	8710 - 8711
a	16.3151 ± 0.0002 Å
b	16.4521 ± 0.0003 Å
c	16.5118 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4432.06 ± 0.13 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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