Crystallography Open Database

Information card for entry 4114217

Preview

Coordinates	4114217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H62 F12 N6 O13 P4 Pt2 S4
Calculated formula	C55 H58 F12 N6 O13 P4 Pt2 S4
Title of publication	Dynamic Equilibrium of a Supramolecular Dimeric Rhomboid and Trimeric Hexagon and Determination of Its Thermodynamic Constants
Authors of publication	Takuya Yamamoto; Atta M. Arif; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12309 - 12317
a	8.6749 ± 0.0002 Å
b	9.0021 ± 0.0002 Å
c	23.7069 ± 0.0006 Å
α	92.233 ± 0.0008°
β	97.2203 ± 0.0008°
γ	101.041 ± 0.0016°
Cell volume	1798.87 ± 0.07 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0465
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178913 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/42.	4114217.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114217.cif
67502	2012-09-27	cif/ Adding structures of 4114217 via cif-deposit CGI script.	4114217.cif