Crystallography Open Database

Information card for entry 4334847

Preview

Coordinates	4334847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 B2 F12 P2 Pt S2
Calculated formula	C40 H34 B2 F12 P2 Pt 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	18.4113 ± 0.0005 Å
b	18.8566 ± 0.0005 Å
c	26.4263 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	9174.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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.	4334847.cif
100731	2014-02-07	cif/ Adding structures of 4334847 via cif-deposit CGI script.	4334847.cif