Crystallography Open Database

Information card for entry 4112578

Preview

Coordinates	4112578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H316 F24 N20 O40 P8 Pt4 S8
Calculated formula	C212 H310 F24 N20 O40 P8 Pt4 S8
Title of publication	Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion
Authors of publication	Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	6314 - 6326
a	11.323 ± 0.003 Å
b	21.521 ± 0.009 Å
c	26.931 ± 0.01 Å
α	90°
β	91.53 ± 0.03°
γ	90°
Cell volume	6560 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1208
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2265
Weighted residual factors for all reflections included in the refinement	0.2453
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
178896 (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 4/11/25.	4112578.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112578.cif
64970	2012-08-30	cif/ Adding structures of 4112578 via cif-deposit CGI script.	4112578.cif