Crystallography Open Database

Information card for entry 4080493

Preview

Coordinates	4080493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 F3 N2 O4 Pt S2
Calculated formula	C26 H33 F3 N2 O4 Pt S2
SMILES	[Pt]1([S](C)C)(C)(C)([OH2])N(c2ccc(cc2)C)C2=CC=CC=CC2=[N]1c1ccc(cc1)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Reductive Elimination from Platinum(IV) Aminotroponiminate Dimethyl Complexes Promoted by Sterically Hindered Lewis Bases
Authors of publication	Traversa, Elise; Templeton, Joseph L.; Cheng, Hiu Yan; Mohadjer Beromi, Megan; White, Peter S.; West, Nathan M.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1938
a	11.676 ± 0.0005 Å
b	19.1569 ± 0.0008 Å
c	12.646 ± 0.0005 Å
α	90°
β	94.933 ± 0.003°
γ	90°
Cell volume	2818.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178693 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/04.	4080493.cif
85941	2013-05-07	cif/ Adding structures of 4080492, 4080493, 4080494, 4080495, 4080496 via cif-deposit CGI script.	4080493.cif