Crystallography Open Database

Information card for entry 4118537

Preview

Coordinates	4118537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H52 Cl2 F3 I P2 Pt
Calculated formula	C33 H52 Cl2 F3 I P2 Pt
SMILES	[Pt]1(I)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1c(cc(cc1F)F)F.C(Cl)Cl
Title of publication	Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites
Authors of publication	Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	14027 - 14032
a	16.286 ± 0.0003 Å
b	8.9776 ± 0.0002 Å
c	24.3315 ± 0.0007 Å
α	90°
β	94.1696 ± 0.0008°
γ	90°
Cell volume	3548.07 ± 0.14 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
178956 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/85.	4118537.cif
76077	2013-03-15	cif/ Adding structures of 4118537 via cif-deposit CGI script.	4118537.cif