Crystallography Open Database

Information card for entry 4068592

Preview

Coordinates	4068592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H32 Cl2 N2 Pt Si
Calculated formula	C35 H32 Cl2 N2 Pt Si
SMILES	[PtH2]1([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=C(C=C(N1c1ccc(Cl)cc1)C)C)c1ccc(Cl)cc1
Title of publication	Cycloaddition Reactions of Terminal Alkynes and Phosphaalkynes with an Isolable 5-Coordinate β-Diiminate Platinum(IV) Dihydrosilyl Complex
Authors of publication	West, Nathan M.; White, Peter S.; Templeton, Joseph L.; Nixon, John F.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1425
a	9.841 ± 0.002 Å
b	11.172 ± 0.002 Å
c	14.862 ± 0.003 Å
α	88.797 ± 0.009°
β	82.253 ± 0.007°
γ	73.627 ± 0.006°
Cell volume	1553.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
178575 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85.	4068592.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068592.cif
39891	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068592 via cif-deposit CGI script.	4068592.cif