Crystallography Open Database

Information card for entry 4334846

Preview

Coordinates	4334846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 Cl F10 P3 Pt S2
Calculated formula	C40 H34 Cl F10 P3 Pt S2
SMILES	[Pt]1(Cl)([S](CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[P](CCSc1c(F)c(F)cc(F)c1F)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles
Authors of publication	Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5876 - 5888
a	14.866 ± 0.003 Å
b	14.944 ± 0.003 Å
c	19.184 ± 0.004 Å
α	90°
β	107.44 ± 0.005°
γ	90°
Cell volume	4066 ± 1.4 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	0.0222
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334846.cif
100730	2014-02-07	cif/ Adding structures of 4334846 via cif-deposit CGI script.	4334846.cif