Crystallography Open Database

Information card for entry 4102791

Preview

Coordinates	4102791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H59 F4 N O3 P2 Pt S
Calculated formula	C57 H59 F4 N O3 P2 Pt S
SMILES	[Pt]1([P](C23CC4CC(C3)CC(C2)C4)(C23CC4CC(C3)CC(C2)C4)Cc2c1cccc2c1ccc(cc1)F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry
Authors of publication	Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10626 - 10627
a	12.6717 ± 0.0003 Å
b	20.2955 ± 0.0004 Å
c	19.301 ± 0.0005 Å
α	90°
β	93.0782 ± 0.001°
γ	90°
Cell volume	4956.6 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
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	0.1063
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1729
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178773 (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 4/10/27.	4102791.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102791.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102791.cif
25710	2011-09-14	../uploads/cif-deposit/cod/cif Adding structures of 4102791 via cif-deposit CGI script.	4102791.cif