Crystallography Open Database

Information card for entry 4118539

Preview

Coordinates	4118539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 F5 I P2 Pt
Calculated formula	C32 H48 F5 I P2 Pt
SMILES	[Pt]1(I)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1c(c(c(c(c1F)F)F)F)F
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	16.2512 ± 0.0002 Å
b	17.3402 ± 0.0002 Å
c	23.8768 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6728.46 ± 0.14 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	0.0466
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4118539.cif
76079	2013-03-15	cif/ Adding structures of 4118539 via cif-deposit CGI script.	4118539.cif