Crystallography Open Database

Information card for entry 4080494

Preview

Coordinates	4080494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 F3 N3 O3 Pt S2
Calculated formula	C31 H40 F3 N3 O3 Pt S2
SMILES	[Pt]1([S](C)C)(C)(C)(C#[N]C(C)(C)C)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	9.3286 ± 0.0002 Å
b	12.9106 ± 0.0002 Å
c	14.91 ± 0.0003 Å
α	83.989 ± 0.001°
β	73.274 ± 0.001°
γ	83.268 ± 0.001°
Cell volume	1703.13 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
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.	4080494.cif
85941	2013-05-07	cif/ Adding structures of 4080492, 4080493, 4080494, 4080495, 4080496 via cif-deposit CGI script.	4080494.cif