Crystallography Open Database

Information card for entry 4109570

Preview

Coordinates	4109570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H52.5 Cu2 N4 O11.75
Calculated formula	C51.5 H30 Cu2 N4 O11.75
Title of publication	Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers
Authors of publication	Jungseok Heo; You-Moon Jeon; Chad A. Mirkin
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7712 - 7713
a	18.238 ± 0.0014 Å
b	18.238 ± 0.0014 Å
c	14.286 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	4115.2 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	0.752
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109570.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109570.cif
58347	2012-05-28	cif/ Adding structures of 4109570 via cif-deposit CGI script.	4109570.cif