Crystallography Open Database

Information card for entry 4101543

Preview

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

Version history

Revision	Date	Message	Files
178761 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/15.	4101543.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101543.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101543.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4101543.cif
396	2008-06-20	Adding new CIF files from J-Am-Chem-Soc-2006/.	4101543.cif