Crystallography Open Database

Information card for entry 4334848

Preview

Coordinates	4334848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H78 Cl4 F12 O2 P6 Pt2 S2
Calculated formula	C81 H78 Cl4 F12 O2 P6 Pt2 S2
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	13.0672 ± 0.0005 Å
b	18.0102 ± 0.0007 Å
c	18.87 ± 0.0007 Å
α	67.441 ± 0.001°
β	88.857 ± 0.001°
γ	82.232 ± 0.002°
Cell volume	4061 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.92 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4334848.cif
100732	2014-02-07	cif/ Adding structures of 4334848 via cif-deposit CGI script.	4334848.cif