Crystallography Open Database

Information card for entry 4324433

Preview

Coordinates	4324433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 Cl2 F8 P2 Pt S2
Calculated formula	C40 H30 Cl2 F8 P2 Pt S2
SMILES	[Pt](Cl)(Cl)([P](CCSc1c(F)c(F)cc(F)c1F)(c1ccccc1)c1ccccc1)[P](CCSc1c(F)c(F)cc(F)c1F)(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	17.7725 ± 0.001 Å
b	17.3394 ± 0.0009 Å
c	25.2406 ± 0.0014 Å
α	90°
β	100.322 ± 0.004°
γ	90°
Cell volume	7652.4 ± 0.7 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	0.1302
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.1811
Weighted residual factors for all reflections included in the refinement	0.2062
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
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.	4324433.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324433.cif
41141	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324433 via cif-deposit CGI script.	4324433.cif