Crystallography Open Database

Information card for entry 4324431

Preview

Coordinates	4324431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cl2 P Pt S
Calculated formula	C20 H19 Cl2 P Pt S
SMILES	[Pt]1(Cl)(Cl)[S](c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1
Title of publication	Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands
Authors of publication	Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1411 - 1419
a	10.4496 ± 0.0001 Å
b	13.2431 ± 0.0001 Å
c	16.3422 ± 0.0002 Å
α	113.492 ± 0.001°
β	103.495 ± 0.001°
γ	94.164 ± 0.001°
Cell volume	1981.72 ± 0.04 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	0.0209
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324431.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324431.cif
41139	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324431 via cif-deposit CGI script.	4324431.cif