Crystallography Open Database

Information card for entry 4334851

Preview

Coordinates	4334851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H78 F28 N4 O8 P8 Pt2 S4
Calculated formula	C78 H78 F28 N4 O8 P8 Pt2 S4
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	13.2613 ± 0.0003 Å
b	18.7487 ± 0.0005 Å
c	18.4005 ± 0.0005 Å
α	90°
β	96.62 ± 0.001°
γ	90°
Cell volume	4544.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54184 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.	4334851.cif
100735	2014-02-07	cif/ Adding structures of 4334851 via cif-deposit CGI script.	4334851.cif