Crystallography Open Database

Information card for entry 4080492

Preview

Coordinates	4080492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 N2 Pt S
Calculated formula	C24 H28 N2 Pt S
SMILES	[Pt]1([N](=C2C(N1c1ccc(cc1)C)=CC=CC=C2)c1ccc(cc1)C)([S](C)C)C
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	12.6651 ± 0.0008 Å
b	9.9737 ± 0.0006 Å
c	18.3405 ± 0.001 Å
α	90°
β	106.824 ± 0.004°
γ	90°
Cell volume	2217.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0584
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	4080492.cif
85941	2013-05-07	cif/ Adding structures of 4080492, 4080493, 4080494, 4080495, 4080496 via cif-deposit CGI script.	4080492.cif