Crystallography Open Database

Information card for entry 4334849

Preview

Coordinates	4334849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H45 Cl3 F6 N P3 Pt S
Calculated formula	C47 H45 Cl3 F6 N P3 Pt S
SMILES	[Pt]1(Cl)([S](c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCN(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
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	33.119 ± 0.002 Å
b	14.5771 ± 0.0009 Å
c	19.2336 ± 0.0011 Å
α	90°
β	93.89 ± 0.003°
γ	90°
Cell volume	9264.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.03 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
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.	4334849.cif
100733	2014-02-07	cif/ Adding structures of 4334849 via cif-deposit CGI script.	4334849.cif